(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid

C11H22N2O3 — CID 107146867

IUPAC(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C(C)(C)CN)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-5-6-8(9(14)15)13-10(16)11(2,3)7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyFPNGNEHNCMMQNE-QMMMGPOBSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds7

About (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid

(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid (PubChem CID 107146867) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid
PubChem CID107146867
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C(C)(C)CN)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-5-6-8(9(14)15)13-10(16)11(2,3)7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyFPNGNEHNCMMQNE-QMMMGPOBSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid
CID 107835553
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 113307659
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid
CID 87902559
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403
(2S)-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]hexanoic acid
CID 107146916
2-[(4-chloro-2,2,3,3,4,4-hexafluorobutanoyl)amino]hexanoic acid
CID 3548401

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid (CID 107146867) is (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid is CCCC[C@H](NC(=O)C(C)(C)CN)C(=O)O.
What is the InChIKey of (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid?
The InChIKey is FPNGNEHNCMMQNE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-6-8(9(14)15)13-10(16)11(2,3)7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid?
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid is sourced from PubChem (CID 107146867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).