(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid

C9H18N2O3 — CID 6992390

IUPAC(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyRDIKFPRVLJLMER-RNFRBKRXSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds5

About (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid

(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid (PubChem CID 6992390) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
PubChem CID6992390
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyRDIKFPRVLJLMER-RNFRBKRXSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
2-[[2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 18233844
2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid
CID 18218333
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 175717143
2-[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 4584163
2-[[4-amino-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 18233425
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
CID 71464517
2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18236933
2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
CID 18236614
2-[2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 18233784
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18239139

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid (CID 6992390) is (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid?
The InChIKey is RDIKFPRVLJLMER-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 6992390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).