3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid

C15H20N2O4 — CID 115339970

IUPAC3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCOC1CNC(C(=O)Nc2ccc(CCC(=O)O)cc2)C1
InChIInChI=1S/C15H20N2O4/c1-21-12-8-13(16-9-12)15(20)17-11-5-2-10(3-6-11)4-7-14(18)19/h2-3,5-6,12-13,16H,4,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyAAXSRWDMTGUADD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.02
Rot. Bonds6

About 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid

3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115339970) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID115339970
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCOC1CNC(C(=O)Nc2ccc(CCC(=O)O)cc2)C1
InChIInChI=1S/C15H20N2O4/c1-21-12-8-13(16-9-12)15(20)17-11-5-2-10(3-6-11)4-7-14(18)19/h2-3,5-6,12-13,16H,4,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyAAXSRWDMTGUADD-UHFFFAOYSA-N
XLogP1.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214462
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
4-methoxy-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 62327297
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 106911790
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213602
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213291

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid (CID 115339970) is 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid is COC1CNC(C(=O)Nc2ccc(CCC(=O)O)cc2)C1.
What is the InChIKey of 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is AAXSRWDMTGUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-8-13(16-9-12)15(20)17-11-5-2-10(3-6-11)4-7-14(18)19/h2-3,5-6,12-13,16H,4,7-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115339970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).