[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate

C14H26N2O3 — CID 175449330

IUPAC[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](C(N)=O)C1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16-13(18)19-11(12(15)17)10-8-6-4-5-7-9-10/h10-11H,4-9H2,1-3H3,(H2,15,17)(H,16,18)/t11-/m0/s1
InChIKeyINCMGBVZBASVMY-NSHDSACASA-N
MW270.37 g/mol
LogP2.34
Rot. Bonds3

About [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate

[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate (PubChem CID 175449330) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate
PubChem CID175449330
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](C(N)=O)C1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16-13(18)19-11(12(15)17)10-8-6-4-5-7-9-10/h10-11H,4-9H2,1-3H3,(H2,15,17)(H,16,18)/t11-/m0/s1
InChIKeyINCMGBVZBASVMY-NSHDSACASA-N
XLogP2.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175450748
(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate
CID 174489750
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
[(2S)-4-(2-aminophenyl)-3-cyclohexylbutan-2-yl] N-tert-butylcarbamate
CID 123758972
[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 57451908
tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
CID 175433446
(1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate
CID 142794437
[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate
CID 175449389
N-tert-butyl-2-(1-cyclohexylethylamino)propanamide
CID 62405402
1-cyclohexylethyl 2-amino-2-methylpropanoate
CID 175898989
(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide
CID 10017644

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate?
The IUPAC name of [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate (CID 175449330) is [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate?
The canonical SMILES for [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H](C(N)=O)C1CCCCCC1.
What is the InChIKey of [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate?
The InChIKey is INCMGBVZBASVMY-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)16-13(18)19-11(12(15)17)10-8-6-4-5-7-9-10/h10-11H,4-9H2,1-3H3,(H2,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate?
[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate has a molecular weight of 270.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate is sourced from PubChem (CID 175449330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).