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

C18H20N2O4 — CID 167979218

IUPAC(3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid
SMILESCOC1CN(C(=O)N[C@H](CC(=O)O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H20N2O4/c1-24-13-10-20(11-13)18(23)19-16(9-17(21)22)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,16H,9-11H2,1H3,(H,19,23)(H,21,22)/t16-/m1/s1
InChIKeyZKXITWZRHNKWPF-MRXNPFEDSA-N
MW328.37 g/mol
LogP2.40
Rot. Bonds5

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

(3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid (PubChem CID 167979218) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid
PubChem CID167979218
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid
SMILESCOC1CN(C(=O)N[C@H](CC(=O)O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H20N2O4/c1-24-13-10-20(11-13)18(23)19-16(9-17(21)22)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,16H,9-11H2,1H3,(H,19,23)(H,21,22)/t16-/m1/s1
InChIKeyZKXITWZRHNKWPF-MRXNPFEDSA-N
XLogP2.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 167980238
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-ethoxy-N-(1-naphthalen-1-ylethyl)piperidine-1-carboxamide
CID 47754586
3-naphthalen-1-ylbutanoic acid
CID 43211329
(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
CID 107316188
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
(3R)-3-acetamido-3-(2,3-dimethoxyphenyl)propanoic acid
CID 78947532
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid
CID 166279188
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid (CID 167979218) is (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid is COC1CN(C(=O)N[C@H](CC(=O)O)c2cccc3ccccc23)C1.
What is the InChIKey of (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid?
The InChIKey is ZKXITWZRHNKWPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-24-13-10-20(11-13)18(23)19-16(9-17(21)22)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,16H,9-11H2,1H3,(H,19,23)(H,21,22)/t16-/m1/s1.
What are the key properties of (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid?
(3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-methoxyazetidine-1-carbonyl)amino]-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 167979218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).