(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid

C17H18N2O3 — CID 129467380

IUPAC(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](CC2CC2)C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H18N2O3/c1-10-8-13(12-4-2-3-5-14(12)18-10)16(20)19-15(17(21)22)9-11-6-7-11/h2-5,8,11,15H,6-7,9H2,1H3,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyYZWAFCRWSYUUGY-OAHLLOKOSA-N
MW298.34 g/mol
LogP2.53
Rot. Bonds5

About (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid

(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid (PubChem CID 129467380) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
PubChem CID129467380
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](CC2CC2)C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H18N2O3/c1-10-8-13(12-4-2-3-5-14(12)18-10)16(20)19-15(17(21)22)9-11-6-7-11/h2-5,8,11,15H,6-7,9H2,1H3,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyYZWAFCRWSYUUGY-OAHLLOKOSA-N
XLogP2.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120535917
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 113354364
3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120535785
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid (CID 129467380) is (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid is Cc1cc(C(=O)N[C@H](CC2CC2)C(=O)O)c2ccccc2n1.
What is the InChIKey of (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid?
The InChIKey is YZWAFCRWSYUUGY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-8-13(12-4-2-3-5-14(12)18-10)16(20)19-15(17(21)22)9-11-6-7-11/h2-5,8,11,15H,6-7,9H2,1H3,(H,19,20)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid?
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid has a molecular weight of 298.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 129467380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).