(2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid

C13H18N2O4 — CID 54309144

IUPAC(2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)OCc1ccccn1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-2-3-7-11(12(16)17)15-13(18)19-9-10-6-4-5-8-14-10/h4-6,8,11H,2-3,7,9H2,1H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeySJQYXLMRTBAOMG-NSHDSACASA-N
MW266.30 g/mol
LogP1.95
Rot. Bonds7

About (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid

(2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid (PubChem CID 54309144) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid
PubChem CID54309144
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)OCc1ccccn1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-2-3-7-11(12(16)17)15-13(18)19-9-10-6-4-5-8-14-10/h4-6,8,11H,2-3,7,9H2,1H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeySJQYXLMRTBAOMG-NSHDSACASA-N
XLogP1.95
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
CID 103666139
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
chloromethyl (2S)-2-(phenylmethoxycarbonylamino)hexanoate
CID 171393372
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoic acid
CID 10737503
4-bromo-2-(phenylmethoxycarbonylamino)octanoic acid
CID 67840637
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;tetramethylazanium;chloride
CID 131676595
butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride
CID 142644170
(2S)-2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]hexanoic acid
CID 120614143
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid (CID 54309144) is (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid is CCCC[C@H](NC(=O)OCc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid?
The InChIKey is SJQYXLMRTBAOMG-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-3-7-11(12(16)17)15-13(18)19-9-10-6-4-5-8-14-10/h4-6,8,11H,2-3,7,9H2,1H3,(H,15,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid?
(2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 54309144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).