N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride

C9H18ClNO2 — CID 71419667

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
SMILESCCCC(=O)N[C@H]1CCC[C@@H]1O.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-4-9(12)10-7-5-3-6-8(7)11;/h7-8,11H,2-6H2,1H3,(H,10,12);1H/t7-,8-;/m0./s1
InChIKeySFGRIQWYWFHOOD-WSZWBAFRSA-N
MW207.70 g/mol
LogP1.24
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride

N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride (PubChem CID 71419667) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
PubChem CID71419667
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
SMILESCCCC(=O)N[C@H]1CCC[C@@H]1O.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-4-9(12)10-7-5-3-6-8(7)11;/h7-8,11H,2-6H2,1H3,(H,10,12);1H/t7-,8-;/m0./s1
InChIKeySFGRIQWYWFHOOD-WSZWBAFRSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxycyclopentyl)butanamide
CID 72951810
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
N-(2-methylcyclohexyl)butanamide
CID 47005567
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880
2-bromo-N-(2-hydroxycyclopentyl)acetamide
CID 127002056
N-(2-hydroxycyclopentyl)-2-methoxyacetamide
CID 20644229
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
N-[2-(butanoylamino)cyclopropyl]butanamide
CID 123475360
5-hydroxy-N-(2-hydroxycyclohexyl)pentanamide
CID 79199015
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
CID 10900833

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride (CID 71419667) is N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride is CCCC(=O)N[C@H]1CCC[C@@H]1O.Cl.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride?
The InChIKey is SFGRIQWYWFHOOD-WSZWBAFRSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-2-4-9(12)10-7-5-3-6-8(7)11;/h7-8,11H,2-6H2,1H3,(H,10,12);1H/t7-,8-;/m0./s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride?
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride is sourced from PubChem (CID 71419667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).