N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride

C17H26ClN3O2 — CID 110012487

IUPACN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
SMILESCl.O=C(CNC1CC1)NCC1CC(O)CN1Cc1ccccc1
InChIInChI=1S/C17H25N3O2.ClH/c21-16-8-15(9-19-17(22)10-18-14-6-7-14)20(12-16)11-13-4-2-1-3-5-13;/h1-5,14-16,18,21H,6-12H2,(H,19,22);1H
InChIKeyIAGDPOCMCRVNPB-UHFFFAOYSA-N
MW339.87 g/mol
LogP0.91
Rot. Bonds7

About N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride

N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride (PubChem CID 110012487) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
PubChem CID110012487
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
SMILESCl.O=C(CNC1CC1)NCC1CC(O)CN1Cc1ccccc1
InChIInChI=1S/C17H25N3O2.ClH/c21-16-8-15(9-19-17(22)10-18-14-6-7-14)20(12-16)11-13-4-2-1-3-5-13;/h1-5,14-16,18,21H,6-12H2,(H,19,22);1H
InChIKeyIAGDPOCMCRVNPB-UHFFFAOYSA-N
XLogP0.91
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
CID 97078882
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 167925784
1-benzyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 86786895
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
N-[[(2R,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-fluoro-6-hydroxybenzamide
CID 99822735
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 124840859
N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 97069938
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110028208
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128574882
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
CID 155959673
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride?
The IUPAC name of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride (CID 110012487) is N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride is Cl.O=C(CNC1CC1)NCC1CC(O)CN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride?
The InChIKey is IAGDPOCMCRVNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c21-16-8-15(9-19-17(22)10-18-14-6-7-14)20(12-16)11-13-4-2-1-3-5-13;/h1-5,14-16,18,21H,6-12H2,(H,19,22);1H.
What are the key properties of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride?
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride is sourced from PubChem (CID 110012487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).