(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid

C10H20N2O4 — CID 107145575

IUPAC(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N(C)CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-5-8(9(14)15)11-10(16)12(2)6-7-13/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)/t8-/m0/s1
InChIKeyXAMKASTXLPDYAN-QMMMGPOBSA-N
MW232.28 g/mol
LogP0.26
Rot. Bonds7

About (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid

(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid (PubChem CID 107145575) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
PubChem CID107145575
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N(C)CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-5-8(9(14)15)11-10(16)12(2)6-7-13/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)/t8-/m0/s1
InChIKeyXAMKASTXLPDYAN-QMMMGPOBSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 107826441
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 61206494
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid
CID 61199942
2-[[methyl(2-methylbutyl)carbamoyl]amino]hexanoic acid
CID 61198544
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid (CID 107145575) is (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid is CCCC[C@H](NC(=O)N(C)CCO)C(=O)O.
What is the InChIKey of (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid?
The InChIKey is XAMKASTXLPDYAN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-4-5-8(9(14)15)11-10(16)12(2)6-7-13/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid?
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 107145575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).