(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid

C14H20N2O3 — CID 70096044

IUPAC(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CNc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-3-9-12(14(18)19)16-13(17)10-15-11-7-5-4-6-8-11/h4-8,12,15H,2-3,9-10H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyCNUGHSONDWOSFH-LBPRGKRZSA-N
MW264.32 g/mol
LogP1.86
Rot. Bonds8

About (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid

(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid (PubChem CID 70096044) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid
PubChem CID70096044
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CNc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-3-9-12(14(18)19)16-13(17)10-15-11-7-5-4-6-8-11/h4-8,12,15H,2-3,9-10H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyCNUGHSONDWOSFH-LBPRGKRZSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(phenylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120537960
(2S)-2-[(2-benzylsulfanylacetyl)amino]hexanoic acid
CID 107143903
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590
(2S)-2-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 107146910
6-amino-2-[[2-(4-fluoroanilino)acetyl]amino]hexanoic acid
CID 69109669
(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
CID 120614965
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
CID 175969260
(2S)-6-amino-2-[[2-(3-chloroanilino)acetyl]amino]hexanoic acid
CID 69230374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid (CID 70096044) is (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid is CCCC[C@H](NC(=O)CNc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid?
The InChIKey is CNUGHSONDWOSFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-9-12(14(18)19)16-13(17)10-15-11-7-5-4-6-8-11/h4-8,12,15H,2-3,9-10H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid?
(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-anilinoacetyl)amino]hexanoic acid is sourced from PubChem (CID 70096044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).