N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride

C6H13ClN2O2 — CID 67315196

IUPACN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)N[C@H]1CNC[C@@H]1O.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-4(9)8-5-2-7-3-6(5)10;/h5-7,10H,2-3H2,1H3,(H,8,9);1H/t5-,6-;/m0./s1
InChIKeyKENMCSPXBDBJRR-GEMLJDPKSA-N
MW180.63 g/mol
LogP-1.12
Rot. Bonds1

About N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride

N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 67315196) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID67315196
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC NameN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)N[C@H]1CNC[C@@H]1O.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-4(9)8-5-2-7-3-6(5)10;/h5-7,10H,2-3H2,1H3,(H,8,9);1H/t5-,6-;/m0./s1
InChIKeyKENMCSPXBDBJRR-GEMLJDPKSA-N
XLogP-1.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 58396031
N-[(4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide
CID 71169155
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride
CID 154910936
(3S,4S)-4-(methylamino)pyrrolidin-3-ol
CID 59440456
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide
CID 15015135
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175793474
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride (CID 67315196) is N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride is CC(=O)N[C@H]1CNC[C@@H]1O.Cl.
What is the InChIKey of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is KENMCSPXBDBJRR-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c1-4(9)8-5-2-7-3-6(5)10;/h5-7,10H,2-3H2,1H3,(H,8,9);1H/t5-,6-;/m0./s1.
What are the key properties of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride?
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 67315196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).