4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid

C17H24N2O4 — CID 122021378

IUPAC4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
SMILESCOc1ccccc1CC1CCCN1C(=O)NCCCC(=O)O
InChIInChI=1S/C17H24N2O4/c1-23-15-8-3-2-6-13(15)12-14-7-5-11-19(14)17(22)18-10-4-9-16(20)21/h2-3,6,8,14H,4-5,7,9-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyWVVFWJOZKVDXKO-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.28
Rot. Bonds7

About 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid

4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid (PubChem CID 122021378) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
PubChem CID122021378
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
SMILESCOc1ccccc1CC1CCCN1C(=O)NCCCC(=O)O
InChIInChI=1S/C17H24N2O4/c1-23-15-8-3-2-6-13(15)12-14-7-5-11-19(14)17(22)18-10-4-9-16(20)21/h2-3,6,8,14H,4-5,7,9-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyWVVFWJOZKVDXKO-UHFFFAOYSA-N
XLogP2.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022100
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
2-(cyclopropylmethylamino)-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119758349
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
2-amino-3-methoxy-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 120987971
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182996
2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055471

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid (CID 122021378) is 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid is COc1ccccc1CC1CCCN1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid?
The InChIKey is WVVFWJOZKVDXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-23-15-8-3-2-6-13(15)12-14-7-5-11-19(14)17(22)18-10-4-9-16(20)21/h2-3,6,8,14H,4-5,7,9-12H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid?
4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122021378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).