[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid

C14H24FN3O5 — CID 90269154

IUPAC[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid
SMILESCC(C)(C)C[C@H](NC(=O)O)C(=O)NC1(C(O)C(N)=O)CC(F)C1
InChIInChI=1S/C14H24FN3O5/c1-13(2,3)6-8(17-12(22)23)11(21)18-14(4-7(15)5-14)9(19)10(16)20/h7-9,17,19H,4-6H2,1-3H3,(H2,16,20)(H,18,21)(H,22,23)/t7?,8-,9?,14?/m0/s1
InChIKeyUASICKBESROJEY-RLNJUBOLSA-N
MW333.36 g/mol
LogP-0.11
Rot. Bonds6

About [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid

[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 90269154) has the molecular formula C14H24FN3O5 and a molecular weight of 333.36 g/mol. Its IUPAC name is [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid
PubChem CID90269154
Molecular FormulaC14H24FN3O5
Molecular Weight333.36 g/mol
Exact Mass333.17
IUPAC Name[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid
SMILESCC(C)(C)C[C@H](NC(=O)O)C(=O)NC1(C(O)C(N)=O)CC(F)C1
InChIInChI=1S/C14H24FN3O5/c1-13(2,3)6-8(17-12(22)23)11(21)18-14(4-7(15)5-14)9(19)10(16)20/h7-9,17,19H,4-6H2,1-3H3,(H2,16,20)(H,18,21)(H,22,23)/t7?,8-,9?,14?/m0/s1
InChIKeyUASICKBESROJEY-RLNJUBOLSA-N
XLogP-0.11
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[[1-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-3-fluorocyclobutyl]amino]-3-(1-fluorocyclopentyl)-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 140611131
[1-(cyanomethylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid
CID 57258951
N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 118234912
(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)carbamic acid
CID 123990881
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415
tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
CID 68800624
3-amino-4-[[1-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 18253211
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
tert-butyl N-[1-[[1-[[1-amino-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-1-oxopropan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 175458022
4-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
CID 18239251
4-amino-2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
CID 18262386
(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
CID 10187327

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid (CID 90269154) is [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid is CC(C)(C)C[C@H](NC(=O)O)C(=O)NC1(C(O)C(N)=O)CC(F)C1.
What is the InChIKey of [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid?
The InChIKey is UASICKBESROJEY-RLNJUBOLSA-N. The full InChI is InChI=1S/C14H24FN3O5/c1-13(2,3)6-8(17-12(22)23)11(21)18-14(4-7(15)5-14)9(19)10(16)20/h7-9,17,19H,4-6H2,1-3H3,(H2,16,20)(H,18,21)(H,22,23)/t7?,8-,9?,14?/m0/s1.
What are the key properties of [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid?
[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 333.36 g/mol, XLogP of -0.11, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)-3-fluorocyclobutyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 90269154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).