(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid

C10H20N2O4 — CID 106114110

IUPAC(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C(CN)OC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-5-7(10(14)15)12-9(13)8(6-11)16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8?/m0/s1
InChIKeyRJNJPKNNILBJBB-JAMMHHFISA-N
MW232.28 g/mol
LogP-0.28
Rot. Bonds8

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

(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid (PubChem CID 106114110) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
PubChem CID106114110
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C(CN)OC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-5-7(10(14)15)12-9(13)8(6-11)16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8?/m0/s1
InChIKeyRJNJPKNNILBJBB-JAMMHHFISA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 114145147
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403
2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
CID 103155410
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]-4-phenylbutanoic acid
CID 106114004
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
CID 107147000
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid (CID 106114110) is (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid is CCCC[C@H](NC(=O)C(CN)OC)C(=O)O.
What is the InChIKey of (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid?
The InChIKey is RJNJPKNNILBJBB-JAMMHHFISA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-4-5-7(10(14)15)12-9(13)8(6-11)16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid?
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid is sourced from PubChem (CID 106114110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).