(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid

C18H20N2O3 — CID 119360414

IUPAC(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)C(=O)O
InChIInChI=1S/C18H20N2O3/c1-10(2)16(18(22)23)20-17(21)13-9-15(11-7-8-11)19-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyBDZVHVQMLXDEBL-INIZCTEOSA-N
MW312.37 g/mol
LogP2.95
Rot. Bonds5

About (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid

(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 119360414) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
PubChem CID119360414
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)C(=O)O
InChIInChI=1S/C18H20N2O3/c1-10(2)16(18(22)23)20-17(21)13-9-15(11-7-8-11)19-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyBDZVHVQMLXDEBL-INIZCTEOSA-N
XLogP2.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
CID 95310623
2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 17406063
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368348
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368132
2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide
CID 9160023
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid (CID 119360414) is (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is BDZVHVQMLXDEBL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-10(2)16(18(22)23)20-17(21)13-9-15(11-7-8-11)19-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3,(H,20,21)(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid?
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).