(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid

C15H20N2O3 — CID 103869747

IUPAC(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)c1cccc2c1CCCN2)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-5-13(15(19)20)17-14(18)11-6-3-8-12-10(11)7-4-9-16-12/h3,6,8,13,16H,2,4-5,7,9H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeySMDJLGNICVJPFJ-ZDUSSCGKSA-N
MW276.34 g/mol
LogP2.03
Rot. Bonds5

About (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid

(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid (PubChem CID 103869747) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid
PubChem CID103869747
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)c1cccc2c1CCCN2)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-5-13(15(19)20)17-14(18)11-6-3-8-12-10(11)7-4-9-16-12/h3,6,8,13,16H,2,4-5,7,9H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeySMDJLGNICVJPFJ-ZDUSSCGKSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849365
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 167914289
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
CID 103869735
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 60834864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid (CID 103869747) is (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid is CCC[C@H](NC(=O)c1cccc2c1CCCN2)C(=O)O.
What is the InChIKey of (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid?
The InChIKey is SMDJLGNICVJPFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-5-13(15(19)20)17-14(18)11-6-3-8-12-10(11)7-4-9-16-12/h3,6,8,13,16H,2,4-5,7,9H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid?
(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid is sourced from PubChem (CID 103869747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).