(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid

C15H22N2O4 — CID 120615460

IUPAC(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ncccc1OC(C)C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-5-7-11(15(19)20)17-14(18)13-12(21-10(2)3)8-6-9-16-13/h6,8-11H,4-5,7H2,1-3H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyNTRWTBUFWPRZMS-NSHDSACASA-N
MW294.35 g/mol
LogP2.24
Rot. Bonds8

About (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid

(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid (PubChem CID 120615460) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
PubChem CID120615460
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ncccc1OC(C)C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-5-7-11(15(19)20)17-14(18)13-12(21-10(2)3)8-6-9-16-13/h6,8-11H,4-5,7H2,1-3H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyNTRWTBUFWPRZMS-NSHDSACASA-N
XLogP2.24
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 119384241
2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120525138
(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
CID 120615249
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
CID 43469679
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
CID 107835532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid (CID 120615460) is (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1ncccc1OC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid?
The InChIKey is NTRWTBUFWPRZMS-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-5-7-11(15(19)20)17-14(18)13-12(21-10(2)3)8-6-9-16-13/h6,8-11H,4-5,7H2,1-3H3,(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid?
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120615460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).