N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide

C13H17N3O3 — CID 151293594

IUPACN-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide
SMILESNCC(=O)N1CCC(NC(=O)c2cccc(O)c2)C1
InChIInChI=1S/C13H17N3O3/c14-7-12(18)16-5-4-10(8-16)15-13(19)9-2-1-3-11(17)6-9/h1-3,6,10,17H,4-5,7-8,14H2,(H,15,19)
InChIKeyOAYBEDNAVLBHHV-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.32
Rot. Bonds3

About N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide

N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide (PubChem CID 151293594) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide
PubChem CID151293594
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide
SMILESNCC(=O)N1CCC(NC(=O)c2cccc(O)c2)C1
InChIInChI=1S/C13H17N3O3/c14-7-12(18)16-5-4-10(8-16)15-13(19)9-2-1-3-11(17)6-9/h1-3,6,10,17H,4-5,7-8,14H2,(H,15,19)
InChIKeyOAYBEDNAVLBHHV-UHFFFAOYSA-N
XLogP-0.32
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[(3-hydroxybenzoyl)amino]piperidine-1-carboxamide
CID 108562959
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558340
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
CID 108558280
prop-2-enyl (3R)-3-[(3-chlorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 129047500
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide?
The IUPAC name of N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide (CID 151293594) is N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide.
What is the SMILES notation for N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide?
The canonical SMILES for N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide is NCC(=O)N1CCC(NC(=O)c2cccc(O)c2)C1.
What is the InChIKey of N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide?
The InChIKey is OAYBEDNAVLBHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-7-12(18)16-5-4-10(8-16)15-13(19)9-2-1-3-11(17)6-9/h1-3,6,10,17H,4-5,7-8,14H2,(H,15,19).
What are the key properties of N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide?
N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide has a molecular weight of 263.30 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide is sourced from PubChem (CID 151293594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).