(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid

C17H20N2O3 — CID 154750746

IUPAC(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid
SMILESCc1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-10(2)8-15(17(21)22)19-16(20)14-9-11(3)12-6-4-5-7-13(12)18-14/h4-7,9-10,15H,8H2,1-3H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyFAKVYUPTEAMPKB-HNNXBMFYSA-N
MW300.36 g/mol
LogP2.77
Rot. Bonds5

About (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid (PubChem CID 154750746) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid
PubChem CID154750746
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid
SMILESCc1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-10(2)8-15(17(21)22)19-16(20)14-9-11(3)12-6-4-5-7-13(12)18-14/h4-7,9-10,15H,8H2,1-3H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyFAKVYUPTEAMPKB-HNNXBMFYSA-N
XLogP2.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 63376246
(2S)-2-[[2-[[2-(2H-indazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695229
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
4-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]pentanoic acid
CID 119188578
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid (CID 154750746) is (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid is Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nc2ccccc12.
What is the InChIKey of (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid?
The InChIKey is FAKVYUPTEAMPKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10(2)8-15(17(21)22)19-16(20)14-9-11(3)12-6-4-5-7-13(12)18-14/h4-7,9-10,15H,8H2,1-3H3,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 154750746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).