2-[(2-oxohexan-3-ylamino)methyl]butanoic acid

C11H21NO3 — CID 87947082

IUPAC2-[(2-oxohexan-3-ylamino)methyl]butanoic acid
SMILESCCCC(NCC(CC)C(=O)O)C(C)=O
InChIInChI=1S/C11H21NO3/c1-4-6-10(8(3)13)12-7-9(5-2)11(14)15/h9-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyZOKMSMLNLRHNJQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.44
Rot. Bonds8

About 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid

2-[(2-oxohexan-3-ylamino)methyl]butanoic acid (PubChem CID 87947082) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-oxohexan-3-ylamino)methyl]butanoic acid
PubChem CID87947082
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(2-oxohexan-3-ylamino)methyl]butanoic acid
SMILESCCCC(NCC(CC)C(=O)O)C(C)=O
InChIInChI=1S/C11H21NO3/c1-4-6-10(8(3)13)12-7-9(5-2)11(14)15/h9-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyZOKMSMLNLRHNJQ-UHFFFAOYSA-N
XLogP1.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylbutanoic acid;2-methylpentanoic acid
CID 140982788
ethane;3-(ethylamino)hexan-2-one
CID 142933892
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
CID 106174583
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
2-ethylpentanoic acid;2-hydroxyacetic acid
CID 87121623
2-ethyl-6-propylheptanedioic acid
CID 154140899
CID 59124121
CID 59124121
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid?
The IUPAC name of 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid (CID 87947082) is 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid is CCCC(NCC(CC)C(=O)O)C(C)=O.
What is the InChIKey of 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid?
The InChIKey is ZOKMSMLNLRHNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-6-10(8(3)13)12-7-9(5-2)11(14)15/h9-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid?
2-[(2-oxohexan-3-ylamino)methyl]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxohexan-3-ylamino)methyl]butanoic acid is sourced from PubChem (CID 87947082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).