(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid

C19H22N2O4 — CID 167980238

IUPAC(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid
SMILESCO[C@H]1CCN(C(=O)N[C@H](CC(=O)O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H22N2O4/c1-25-14-9-10-21(12-14)19(24)20-17(11-18(22)23)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17H,9-12H2,1H3,(H,20,24)(H,22,23)/t14-,17+/m0/s1
InChIKeyPZOARHZQPRVPFC-WMLDXEAASA-N
MW342.39 g/mol
LogP2.79
Rot. Bonds5

About (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid

(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid (PubChem CID 167980238) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid
PubChem CID167980238
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid
SMILESCO[C@H]1CCN(C(=O)N[C@H](CC(=O)O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H22N2O4/c1-25-14-9-10-21(12-14)19(24)20-17(11-18(22)23)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17H,9-12H2,1H3,(H,20,24)(H,22,23)/t14-,17+/m0/s1
InChIKeyPZOARHZQPRVPFC-WMLDXEAASA-N
XLogP2.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid
CID 167979218
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
CID 107316188
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
3-ethoxy-N-(1-naphthalen-1-ylethyl)piperidine-1-carboxamide
CID 47754586
3-[(3-methoxyazetidine-1-carbonyl)amino]-3-(4-propan-2-ylphenyl)propanoic acid
CID 166279129
3-naphthalen-1-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3764471
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid (CID 167980238) is (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid is CO[C@H]1CCN(C(=O)N[C@H](CC(=O)O)c2cccc3ccccc23)C1.
What is the InChIKey of (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid?
The InChIKey is PZOARHZQPRVPFC-WMLDXEAASA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-14-9-10-21(12-14)19(24)20-17(11-18(22)23)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17H,9-12H2,1H3,(H,20,24)(H,22,23)/t14-,17+/m0/s1.
What are the key properties of (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid?
(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid has a molecular weight of 342.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 167980238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).