2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid

C12H19NO5 — CID 82324036

IUPAC2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C1CC1
InChIInChI=1S/C12H19NO5/c1-3-9(12(17)18)13(6-7(2)11(15)16)10(14)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUHKZWMVZWWOEMU-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.81
Rot. Bonds7

About 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid

2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid (PubChem CID 82324036) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid
PubChem CID82324036
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C1CC1
InChIInChI=1S/C12H19NO5/c1-3-9(12(17)18)13(6-7(2)11(15)16)10(14)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUHKZWMVZWWOEMU-UHFFFAOYSA-N
XLogP0.81
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid
CID 82324234
3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324204
2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid
CID 82323973
2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
CID 82323705
2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid
CID 82323920
2-[2-carboxypropyl(pentanoyl)amino]butanoic acid
CID 82323586
3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323658
2-methyl-3-[methyl(thiane-4-carbonyl)amino]propanoic acid
CID 110837236
2-[2-carboxypropyl(3-oxobutan-2-yl)amino]butanoic acid
CID 82329397
3-[cyclopropyl(thiane-4-carbonyl)amino]-2-methylpropanoic acid
CID 120535285
3-[carboxymethyl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324207
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid (CID 82324036) is 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid is CCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C1CC1.
What is the InChIKey of 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is UHKZWMVZWWOEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-3-9(12(17)18)13(6-7(2)11(15)16)10(14)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid?
2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 257.29 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 82324036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).