N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide

C20H32N2O4 — CID 159667871

IUPACN-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC1(C[C@H](NC(=O)C2CC2)C(=O)CC2(C(O)C(N)=O)CCC2)CCCC1
InChIInChI=1S/C20H32N2O4/c1-19(7-2-3-8-19)11-14(22-18(26)13-5-6-13)15(23)12-20(9-4-10-20)16(24)17(21)25/h13-14,16,24H,2-12H2,1H3,(H2,21,25)(H,22,26)/t14-,16?/m0/s1
InChIKeyBMOGATDEORTRTJ-LBAUFKAWSA-N
MW364.49 g/mol
LogP1.83
Rot. Bonds9

About N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide

N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 159667871) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID159667871
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC NameN-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC1(C[C@H](NC(=O)C2CC2)C(=O)CC2(C(O)C(N)=O)CCC2)CCCC1
InChIInChI=1S/C20H32N2O4/c1-19(7-2-3-8-19)11-14(22-18(26)13-5-6-13)15(23)12-20(9-4-10-20)16(24)17(21)25/h13-14,16,24H,2-12H2,1H3,(H2,21,25)(H,22,26)/t14-,16?/m0/s1
InChIKeyBMOGATDEORTRTJ-LBAUFKAWSA-N
XLogP1.83
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6S,10S,13S,16S,20R)-6,16-Dihydroxy-7,17-dimethyl-10,20-bis(2-methylpropyl)-3,13-di(propan-2-yl)-1,4,11,14-tetraazacycloicosane-2,5,9,12,15,19-hexone
CID 71300878
2-[1-[(3S)-3-acetamido-4-(1-fluorocyclopentyl)-2-oxobutyl]-3-fluorocyclobutyl]-2-hydroxyacetamide
CID 157608290
ethyl N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-fluorocyclopentyl)-3-oxobutan-2-yl]carbamate
CID 157941828
2-[1-[(3S)-3-[(2,2-difluorocyclopropanecarbonyl)amino]-4-(1-methylcyclopentyl)-2-oxobutyl]cyclobutyl]-2-hydroxyacetic acid
CID 160340441
tert-butyl N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)-3,3-difluorocyclobutyl]-1-(1-fluorocyclopentyl)-3-oxobutan-2-yl]carbamate
CID 161416733
N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 162204317
5-[(2S)-3-[(2S)-2-tert-butyl-6,6-dimethyl-4-oxoheptanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
CID 58262967
3-(cyclobutylmethyl)-5-[(2S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide
CID 58263008
2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide
CID 58311249
2-hydroxy-2-[(3S,14R,17S)-3,19,19-trimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-14-yl]acetamide
CID 58311263
2-hydroxy-2-[(3S,14R,17S,18R,20S)-3,19,19-trimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-14-yl]acetamide
CID 58311438
(2S,5S)-5-amino-2-tert-butyl-1-[(5R,8S)-8-[(3R)-6-cyclopropyl-4-hydroxy-5-oxo-3-propylhexanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-6,6-dimethylheptane-1,4-dione
CID 58509884

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide (CID 159667871) is N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide is CC1(C[C@H](NC(=O)C2CC2)C(=O)CC2(C(O)C(N)=O)CCC2)CCCC1.
What is the InChIKey of N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is BMOGATDEORTRTJ-LBAUFKAWSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-19(7-2-3-8-19)11-14(22-18(26)13-5-6-13)15(23)12-20(9-4-10-20)16(24)17(21)25/h13-14,16,24H,2-12H2,1H3,(H2,21,25)(H,22,26)/t14-,16?/m0/s1.
What are the key properties of N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide?
N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159667871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).