tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate

C16H29NO4 — CID 71097712

IUPACtert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate
SMILESCCCC(=O)[C@@]1(C(C)O)CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H29NO4/c1-6-7-13(19)16(11(2)18)9-8-12(10-16)17-14(20)21-15(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,17,20)/t11?,12-,16+/m1/s1
InChIKeyCPMHBFAMWURPSV-KMQIDDJNSA-N
MW299.41 g/mol
LogP2.80
Rot. Bonds5

About tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate

tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate (PubChem CID 71097712) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate
PubChem CID71097712
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate
SMILESCCCC(=O)[C@@]1(C(C)O)CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H29NO4/c1-6-7-13(19)16(11(2)18)9-8-12(10-16)17-14(20)21-15(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,17,20)/t11?,12-,16+/m1/s1
InChIKeyCPMHBFAMWURPSV-KMQIDDJNSA-N
XLogP2.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
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tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103949188
tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate
CID 90063142
tert-butyl N-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
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tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate
CID 178017857
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfanylcyclopentane-1-carboxylate
CID 58784476

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate (CID 71097712) is tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate is CCCC(=O)[C@@]1(C(C)O)CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate?
The InChIKey is CPMHBFAMWURPSV-KMQIDDJNSA-N. The full InChI is InChI=1S/C16H29NO4/c1-6-7-13(19)16(11(2)18)9-8-12(10-16)17-14(20)21-15(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,17,20)/t11?,12-,16+/m1/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate?
tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-butanoyl-3-(1-hydroxyethyl)cyclopentyl]carbamate is sourced from PubChem (CID 71097712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).