4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C16H23ClN2O2 — CID 119770261

IUPAC4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C2CC(O)CN2)CC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11-4-2-3-5-13(11)16(6-7-16)10-18-15(20)14-8-12(19)9-17-14;/h2-5,12,14,17,19H,6-10H2,1H3,(H,18,20);1H
InChIKeyJNBXFBSDZZKWSD-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.29
Rot. Bonds4

About 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119770261) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119770261
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C2CC(O)CN2)CC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11-4-2-3-5-13(11)16(6-7-16)10-18-15(20)14-8-12(19)9-17-14;/h2-5,12,14,17,19H,6-10H2,1H3,(H,18,20);1H
InChIKeyJNBXFBSDZZKWSD-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 119747052
N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315824
(3S,4S)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120930637
4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780053
4-hydroxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780127
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119853416
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 63306283
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119770261) is 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1ccccc1C1(CNC(=O)C2CC(O)CN2)CC1.Cl.
What is the InChIKey of 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JNBXFBSDZZKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-11-4-2-3-5-13(11)16(6-7-16)10-18-15(20)14-8-12(19)9-17-14;/h2-5,12,14,17,19H,6-10H2,1H3,(H,18,20);1H.
What are the key properties of 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119770261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).