2-(2-aminopentanoylamino)-4-methylpentanoic acid

C11H22N2O3 — CID 5095064

IUPAC2-(2-aminopentanoylamino)-4-methylpentanoic acid
SMILESCCCC(N)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-5-8(12)10(14)13-9(11(15)16)6-7(2)3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOEOQPSFHJDWVNT-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds7

About 2-(2-aminopentanoylamino)-4-methylpentanoic acid

2-(2-aminopentanoylamino)-4-methylpentanoic acid (PubChem CID 5095064) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-aminopentanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-aminopentanoylamino)-4-methylpentanoic acid
PubChem CID5095064
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(2-aminopentanoylamino)-4-methylpentanoic acid
SMILESCCCC(N)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-5-8(12)10(14)13-9(11(15)16)6-7(2)3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOEOQPSFHJDWVNT-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
CID 170220008
(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid
CID 79001418
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;(2R)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 139248299
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-methylpentanoic acid
CID 61158997
(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 175767787
2-(2,6-diaminohexanoylamino)-4-methylpentanoic acid
CID 4682588
2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 18219428
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 22411045

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopentanoylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(2-aminopentanoylamino)-4-methylpentanoic acid (CID 5095064) is 2-(2-aminopentanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2-aminopentanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(2-aminopentanoylamino)-4-methylpentanoic acid is CCCC(N)C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2-aminopentanoylamino)-4-methylpentanoic acid?
The InChIKey is OEOQPSFHJDWVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-8(12)10(14)13-9(11(15)16)6-7(2)3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-aminopentanoylamino)-4-methylpentanoic acid?
2-(2-aminopentanoylamino)-4-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopentanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 5095064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).