2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid

C11H22N2O4 — CID 104553020

IUPAC2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(C)C(C)CO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-5-6-9(10(15)16)12-11(17)13(3)8(2)7-14/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyQILTYBUZSGBKTB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.65
Rot. Bonds7

About 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid

2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid (PubChem CID 104553020) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
PubChem CID104553020
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(C)C(C)CO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-5-6-9(10(15)16)12-11(17)13(3)8(2)7-14/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyQILTYBUZSGBKTB-UHFFFAOYSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 107567559
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
(2S)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828909
(2R)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828905
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 104553076
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 113426163
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 55009895
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910575
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
CID 107145575
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826100

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid (CID 104553020) is 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid is CCCCC(NC(=O)N(C)C(C)CO)C(=O)O.
What is the InChIKey of 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid?
The InChIKey is QILTYBUZSGBKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-5-6-9(10(15)16)12-11(17)13(3)8(2)7-14/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid?
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 104553020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).