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

C15H25NO5 — CID 82324234

IUPAC2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO5/c1-3-12(15(20)21)16(9-10(2)14(18)19)13(17)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUIUWHSNHVRBJCC-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.98
Rot. Bonds7

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

2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid (PubChem CID 82324234) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid
PubChem CID82324234
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO5/c1-3-12(15(20)21)16(9-10(2)14(18)19)13(17)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUIUWHSNHVRBJCC-UHFFFAOYSA-N
XLogP1.98
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid
CID 82324036
3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324204
3-[carboxymethyl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324207
2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
CID 82323705
2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid
CID 82323920
2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid
CID 82323973
2-[2-carboxypropyl(pentanoyl)amino]butanoic acid
CID 82323586
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323902
N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide
CID 63396070
3-[(3-fluorocyclohexanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 122126147
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid?
The IUPAC name of 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid (CID 82324234) is 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid?
The canonical SMILES for 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid is CCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C1CCCCC1.
What is the InChIKey of 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid?
The InChIKey is UIUWHSNHVRBJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-3-12(15(20)21)16(9-10(2)14(18)19)13(17)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid?
2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid has a molecular weight of 299.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 82324234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).