N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C16H27N3O3 — CID 171749223

IUPACN-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESC[C@H]1C[C@@H]1CC(NC(=O)C1NCC2C1C2(C)C)C(O)C(N)=O
InChIInChI=1S/C16H27N3O3/c1-7-4-8(7)5-10(13(20)14(17)21)19-15(22)12-11-9(6-18-12)16(11,2)3/h7-13,18,20H,4-6H2,1-3H3,(H2,17,21)(H,19,22)/t7-,8+,9?,10?,11?,12?,13?/m0/s1
InChIKeyYEMLPZWSPZIXOP-FBBWGSEOSA-N
MW309.41 g/mol
LogP-0.39
Rot. Bonds6

About N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 171749223) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID171749223
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESC[C@H]1C[C@@H]1CC(NC(=O)C1NCC2C1C2(C)C)C(O)C(N)=O
InChIInChI=1S/C16H27N3O3/c1-7-4-8(7)5-10(13(20)14(17)21)19-15(22)12-11-9(6-18-12)16(11,2)3/h7-13,18,20H,4-6H2,1-3H3,(H2,17,21)(H,19,22)/t7-,8+,9?,10?,11?,12?,13?/m0/s1
InChIKeyYEMLPZWSPZIXOP-FBBWGSEOSA-N
XLogP-0.39
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

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Related Compounds

(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174354550
N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481479
6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl chloride
CID 168878796
N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 175881116
(2S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 91535472
(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
CID 163342230
N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane
CID 165393645
(2S)-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58908574
(1R,2S)-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58028343
(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methyl (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 161479942
trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 127011730
(2S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-[(2S)-2-[[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 143362726

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 171749223) is N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is C[C@H]1C[C@@H]1CC(NC(=O)C1NCC2C1C2(C)C)C(O)C(N)=O.
What is the InChIKey of N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is YEMLPZWSPZIXOP-FBBWGSEOSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-7-4-8(7)5-10(13(20)14(17)21)19-15(22)12-11-9(6-18-12)16(11,2)3/h7-13,18,20H,4-6H2,1-3H3,(H2,17,21)(H,19,22)/t7-,8+,9?,10?,11?,12?,13?/m0/s1.
What are the key properties of N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of -0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 171749223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).