3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid

C10H17NO5 — CID 82323339

IUPAC3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
SMILESCCC(=O)N(CCC(=O)O)CC(C)C(=O)O
InChIInChI=1S/C10H17NO5/c1-3-8(12)11(5-4-9(13)14)6-7(2)10(15)16/h7H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyPKMKQUDDCUCCLC-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.42
Rot. Bonds7

About 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid

3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid (PubChem CID 82323339) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
PubChem CID82323339
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
SMILESCCC(=O)N(CCC(=O)O)CC(C)C(=O)O
InChIInChI=1S/C10H17NO5/c1-3-8(12)11(5-4-9(13)14)6-7(2)10(15)16/h7H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyPKMKQUDDCUCCLC-UHFFFAOYSA-N
XLogP0.42
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302
3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82323422
3-[butanoyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82323472
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
3-[3-hydroxypropyl(propanoyl)amino]propanoic acid
CID 82323236
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323914
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638
3-[butanoyl-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82323456
2-methyl-3-[(4-methylphenyl)methyl-propanoylamino]propanoic acid
CID 82323323

Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid (CID 82323339) is 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid is CCC(=O)N(CCC(=O)O)CC(C)C(=O)O.
What is the InChIKey of 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid?
The InChIKey is PKMKQUDDCUCCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-3-8(12)11(5-4-9(13)14)6-7(2)10(15)16/h7H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid?
3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid has a molecular weight of 231.25 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).