3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H17N3O4 — CID 107323777

IUPAC3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CCC(N)(C(=O)O)C2)cc1
InChIInChI=1S/C13H17N3O4/c1-20-10-4-2-9(3-5-10)15-12(19)16-7-6-13(14,8-16)11(17)18/h2-5H,6-8,14H2,1H3,(H,15,19)(H,17,18)
InChIKeyMCMNNYGDLODXSM-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.71
Rot. Bonds3

About 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 107323777) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID107323777
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CCC(N)(C(=O)O)C2)cc1
InChIInChI=1S/C13H17N3O4/c1-20-10-4-2-9(3-5-10)15-12(19)16-7-6-13(14,8-16)11(17)18/h2-5H,6-8,14H2,1H3,(H,15,19)(H,17,18)
InChIKeyMCMNNYGDLODXSM-UHFFFAOYSA-N
XLogP0.71
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-hydroxy-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 107323662
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 169490460
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490459
N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235204
1-[(4-cyclopentyloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075770
2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 91909934
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234002
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 107323777) is 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is COc1ccc(NC(=O)N2CCC(N)(C(=O)O)C2)cc1.
What is the InChIKey of 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MCMNNYGDLODXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-10-4-2-9(3-5-10)15-12(19)16-7-6-13(14,8-16)11(17)18/h2-5H,6-8,14H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).