(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid

C20H25N3O5 — CID 120694929

IUPAC(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc2cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)nc2c1
InChIInChI=1S/C20H25N3O5/c1-11(2)7-17(20(26)27)23-18(24)10-21-19(25)15-8-13-5-6-14(28-4)9-16(13)22-12(15)3/h5-6,8-9,11,17H,7,10H2,1-4H3,(H,21,25)(H,23,24)(H,26,27)/t17-/m0/s1
InChIKeyZVNKXRHIMQNENP-KRWDZBQOSA-N
MW387.44 g/mol
LogP1.90
Rot. Bonds8

About (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 120694929) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID120694929
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc2cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)nc2c1
InChIInChI=1S/C20H25N3O5/c1-11(2)7-17(20(26)27)23-18(24)10-21-19(25)15-8-13-5-6-14(28-4)9-16(13)22-12(15)3/h5-6,8-9,11,17H,7,10H2,1-4H3,(H,21,25)(H,23,24)(H,26,27)/t17-/m0/s1
InChIKeyZVNKXRHIMQNENP-KRWDZBQOSA-N
XLogP1.90
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid
CID 120693173
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
(2S)-2-[[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695115
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid (CID 120694929) is (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid is COc1ccc2cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)nc2c1.
What is the InChIKey of (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is ZVNKXRHIMQNENP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-11(2)7-17(20(26)27)23-18(24)10-21-19(25)15-8-13-5-6-14(28-4)9-16(13)22-12(15)3/h5-6,8-9,11,17H,7,10H2,1-4H3,(H,21,25)(H,23,24)(H,26,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 387.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 120694929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).