3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid

C19H20N2O4 — CID 120535706

IUPAC3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC(CC1CC1)C(=O)O)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C19H20N2O4/c22-18(21-16(19(23)24)10-13-6-7-13)15-8-9-17(20-11-15)25-12-14-4-2-1-3-5-14/h1-5,8-9,11,13,16H,6-7,10,12H2,(H,21,22)(H,23,24)
InChIKeyDGZZRJAJMBZIAV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.64
Rot. Bonds8

About 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid

3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid (PubChem CID 120535706) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid
PubChem CID120535706
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC(CC1CC1)C(=O)O)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C19H20N2O4/c22-18(21-16(19(23)24)10-13-6-7-13)15-8-9-17(20-11-15)25-12-14-4-2-1-3-5-14/h1-5,8-9,11,13,16H,6-7,10,12H2,(H,21,22)(H,23,24)
InChIKeyDGZZRJAJMBZIAV-UHFFFAOYSA-N
XLogP2.64
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535841
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
(2S)-3-cyclohexyl-2-[[3-[(4-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoic acid
CID 66912825
N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 76736087
N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
CID 121414201
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 120516056

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid (CID 120535706) is 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid is O=C(NC(CC1CC1)C(=O)O)c1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is DGZZRJAJMBZIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(21-16(19(23)24)10-13-6-7-13)15-8-9-17(20-11-15)25-12-14-4-2-1-3-5-14/h1-5,8-9,11,13,16H,6-7,10,12H2,(H,21,22)(H,23,24).
What are the key properties of 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120535706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).