5-(2-ethylbutanoylamino)-4-methylpentanoic acid

C12H23NO3 — CID 82010608

IUPAC5-(2-ethylbutanoylamino)-4-methylpentanoic acid
SMILESCCC(CC)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C12H23NO3/c1-4-10(5-2)12(16)13-8-9(3)6-7-11(14)15/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyQHAHXCSWOQMGRE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.04
Rot. Bonds8

About 5-(2-ethylbutanoylamino)-4-methylpentanoic acid

5-(2-ethylbutanoylamino)-4-methylpentanoic acid (PubChem CID 82010608) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-(2-ethylbutanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(2-ethylbutanoylamino)-4-methylpentanoic acid
PubChem CID82010608
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name5-(2-ethylbutanoylamino)-4-methylpentanoic acid
SMILESCCC(CC)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C12H23NO3/c1-4-10(5-2)12(16)13-8-9(3)6-7-11(14)15/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyQHAHXCSWOQMGRE-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
4-methyl-5-(2-phenylbutanoylamino)pentanoic acid
CID 82017105
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 82688255
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
N-(2-aminopropyl)-2-ethylbutanamide
CID 63732725
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylbutanoylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(2-ethylbutanoylamino)-4-methylpentanoic acid (CID 82010608) is 5-(2-ethylbutanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(2-ethylbutanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(2-ethylbutanoylamino)-4-methylpentanoic acid is CCC(CC)C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-(2-ethylbutanoylamino)-4-methylpentanoic acid?
The InChIKey is QHAHXCSWOQMGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-10(5-2)12(16)13-8-9(3)6-7-11(14)15/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 5-(2-ethylbutanoylamino)-4-methylpentanoic acid?
5-(2-ethylbutanoylamino)-4-methylpentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbutanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82010608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).