1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C16H22N2O4 — CID 122004823

IUPAC1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOCC(Cc1ccccc1)NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C16H22N2O4/c1-22-11-14(9-12-5-3-2-4-6-12)17-16(21)18-8-7-13(10-18)15(19)20/h2-6,13-14H,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyDKHJMQJJIDUWKL-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.36
Rot. Bonds6

About 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122004823) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122004823
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOCC(Cc1ccccc1)NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C16H22N2O4/c1-22-11-14(9-12-5-3-2-4-6-12)17-16(21)18-8-7-13(10-18)15(19)20/h2-6,13-14H,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyDKHJMQJJIDUWKL-UHFFFAOYSA-N
XLogP1.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122002874
1-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004989
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009637
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 60547124
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 120782370
(3S)-1-[(2R)-2-methylsulfonyl-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 125149577
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122004823) is 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is COCC(Cc1ccccc1)NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DKHJMQJJIDUWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-22-11-14(9-12-5-3-2-4-6-12)17-16(21)18-8-7-13(10-18)15(19)20/h2-6,13-14H,7-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122004823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).