5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid

C11H22N2O3 — CID 103870686

IUPAC5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
SMILESCCC[C@@H](N)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-5-9(12)10(14)13-7-4-6-8(2)11(15)16/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyQOQMRVWATGZUHO-YGPZHTELSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds8

About 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid

5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid (PubChem CID 103870686) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
PubChem CID103870686
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
SMILESCCC[C@@H](N)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-5-9(12)10(14)13-7-4-6-8(2)11(15)16/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyQOQMRVWATGZUHO-YGPZHTELSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
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

(2R)-2-amino-N-butylpentanamide
CID 82668431
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
CID 115867248
2-amino-N-propylpentanamide
CID 43649977
4-(2-aminobutanoylamino)-2-methylbutanoic acid
CID 80539879
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
CID 104686265
5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid (CID 103870686) is 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid is CCC[C@@H](N)C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid?
The InChIKey is QOQMRVWATGZUHO-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-9(12)10(14)13-7-4-6-8(2)11(15)16/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1.
What are the key properties of 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid?
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 103870686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).