5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid

C11H22N2O3 — CID 115867248

IUPAC5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C(N)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)9(12)10(14)13-6-4-5-8(3)11(15)16/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyIOLKJHLWBBWLEA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds7

About 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid

5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid (PubChem CID 115867248) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
PubChem CID115867248
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C(N)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)9(12)10(14)13-6-4-5-8(3)11(15)16/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyIOLKJHLWBBWLEA-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]pentanedioic acid
CID 175784350
4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
CID 80540178
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid (CID 115867248) is 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid is CC(CCCNC(=O)C(N)C(C)C)C(=O)O.
What is the InChIKey of 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid?
The InChIKey is IOLKJHLWBBWLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)9(12)10(14)13-6-4-5-8(3)11(15)16/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid?
5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 115867248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).