2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid

C12H24N2O3 — CID 62199162

IUPAC2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid
SMILESCCCCC(C)NC(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-7-8-9(3)13-12(17)14(4)10(6-2)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyYOJLIXQAVXEHAO-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.07
Rot. Bonds7

About 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid

2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid (PubChem CID 62199162) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid
PubChem CID62199162
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid
SMILESCCCCC(C)NC(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-7-8-9(3)13-12(17)14(4)10(6-2)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyYOJLIXQAVXEHAO-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid
CID 107145294
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 55009895
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 62821500
N-hexan-2-ylacetamide;methane
CID 161054772
2-[[methyl(2-methylbutyl)carbamoyl]amino]hexanoic acid
CID 61198544
2-[2-carboxyethyl(methyl)amino]hexanoic acid
CID 82328730
N-hexan-2-ylbutanamide
CID 64592038
2-[[butan-2-yl(ethyl)carbamoyl]amino]hexanoic acid
CID 61199662

Frequently Asked Questions

What is the IUPAC name of 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid?
The IUPAC name of 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid (CID 62199162) is 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid is CCCCC(C)NC(=O)N(C)C(CC)C(=O)O.
What is the InChIKey of 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid?
The InChIKey is YOJLIXQAVXEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-8-9(3)13-12(17)14(4)10(6-2)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid?
2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 62199162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).