2-(2-formamidopropanoylamino)-4-methylpentanoic acid

C10H18N2O4 — CID 131864242

IUPAC2-(2-formamidopropanoylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C(C)NC=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12-9(14)7(3)11-5-13/h5-8H,4H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyVWJHOIRQTQMUKM-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.26
Rot. Bonds7

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

2-(2-formamidopropanoylamino)-4-methylpentanoic acid (PubChem CID 131864242) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(2-formamidopropanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-formamidopropanoylamino)-4-methylpentanoic acid
PubChem CID131864242
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-(2-formamidopropanoylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C(C)NC=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12-9(14)7(3)11-5-13/h5-8H,4H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyVWJHOIRQTQMUKM-UHFFFAOYSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 78975508
(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 71442645
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18224375
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18745306
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
(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
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid
CID 143459468
(2S)-4-methyl-2-(2-methylsulfanylpropanoylamino)pentanoic acid
CID 119361586

Frequently Asked Questions

What is the IUPAC name of 2-(2-formamidopropanoylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(2-formamidopropanoylamino)-4-methylpentanoic acid (CID 131864242) is 2-(2-formamidopropanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2-formamidopropanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(2-formamidopropanoylamino)-4-methylpentanoic acid is CC(C)CC(NC(=O)C(C)NC=O)C(=O)O.
What is the InChIKey of 2-(2-formamidopropanoylamino)-4-methylpentanoic acid?
The InChIKey is VWJHOIRQTQMUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12-9(14)7(3)11-5-13/h5-8H,4H2,1-3H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-(2-formamidopropanoylamino)-4-methylpentanoic acid?
2-(2-formamidopropanoylamino)-4-methylpentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamidopropanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 131864242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).