N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride

C10H21ClN2O2 — CID 110012241

IUPACN-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(CCO)NC(=O)C1CCCN1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-2-8(5-7-13)12-10(14)9-4-3-6-11-9;/h8-9,11,13H,2-7H2,1H3,(H,12,14);1H
InChIKeyWFVVAICVUYCNPD-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.44
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 110012241) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID110012241
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC NameN-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(CCO)NC(=O)C1CCCN1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-2-8(5-7-13)12-10(14)9-4-3-6-11-9;/h8-9,11,13H,2-7H2,1H3,(H,12,14);1H
InChIKeyWFVVAICVUYCNPD-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide
CID 62647796
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323
methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 71251227
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 109478793
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 110012241) is N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride is CCC(CCO)NC(=O)C1CCCN1.Cl.
What is the InChIKey of N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WFVVAICVUYCNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-2-8(5-7-13)12-10(14)9-4-3-6-11-9;/h8-9,11,13H,2-7H2,1H3,(H,12,14);1H.
What are the key properties of N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 110012241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).