3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid

C10H17NO5 — CID 10353830

IUPAC3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)C(=O)NCCC(=O)O
InChIInChI=1S/C10H17NO5/c1-6(2)7(5-9(14)15)10(16)11-4-3-8(12)13/h6-7H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyFGUKVTJAPRDECM-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.32
Rot. Bonds7

About 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid

3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid (PubChem CID 10353830) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid
PubChem CID10353830
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)C(=O)NCCC(=O)O
InChIInChI=1S/C10H17NO5/c1-6(2)7(5-9(14)15)10(16)11-4-3-8(12)13/h6-7H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyFGUKVTJAPRDECM-UHFFFAOYSA-N
XLogP0.32
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
3-[[(2R)-2-benzyl-3-methylbutanoyl]amino]propanoic acid
CID 124682272
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
3-[2-(dimethylamino)propanoylamino]propanoic acid
CID 126638716
3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 170549773
3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 146653249
4-[[(2S)-1-[4-[[(2S)-2-(3-carboxypropanoylamino)-3-methylbutanoyl]amino]butylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 71473815
3-[[3-[[3-(2-carboxyethylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanoyl]amino]propanoic acid
CID 123649575
3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
CID 88998079
4-[[(2S)-1-[4-[[(2S)-2-[(2-carboxyacetyl)amino]-3-methylbutanoyl]amino]butylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 140567814
3-[2-[[1-(carboxymethylamino)-1-oxopropan-2-yl]disulfanyl]propanoylamino]propanoic acid
CID 130279737

Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid?
The IUPAC name of 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid (CID 10353830) is 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid?
The canonical SMILES for 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid is CC(C)C(CC(=O)O)C(=O)NCCC(=O)O.
What is the InChIKey of 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid?
The InChIKey is FGUKVTJAPRDECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(2)7(5-9(14)15)10(16)11-4-3-8(12)13/h6-7H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid?
3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid has a molecular weight of 231.25 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid is sourced from PubChem (CID 10353830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).