3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid

C14H25NO4 — CID 82326091

IUPAC3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCO)C(=O)CC1CCCCC1
InChIInChI=1S/C14H25NO4/c16-10-4-8-15(9-7-14(18)19)13(17)11-12-5-2-1-3-6-12/h12,16H,1-11H2,(H,18,19)
InChIKeyVECJBAUXTNUCQY-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.64
Rot. Bonds8

About 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid

3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid (PubChem CID 82326091) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
PubChem CID82326091
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCO)C(=O)CC1CCCCC1
InChIInChI=1S/C14H25NO4/c16-10-4-8-15(9-7-14(18)19)13(17)11-12-5-2-1-3-6-12/h12,16H,1-11H2,(H,18,19)
InChIKeyVECJBAUXTNUCQY-UHFFFAOYSA-N
XLogP1.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid
CID 82326113
2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide
CID 10314256
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
3-[3-hydroxypropyl(propanoyl)amino]propanoic acid
CID 82323236
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
CID 82324051
3-[(2-cyclopentylacetyl)-(oxan-4-yl)amino]propanoic acid
CID 119212280
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
CID 82326965

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid (CID 82326091) is 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid is O=C(O)CCN(CCCO)C(=O)CC1CCCCC1.
What is the InChIKey of 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid?
The InChIKey is VECJBAUXTNUCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c16-10-4-8-15(9-7-14(18)19)13(17)11-12-5-2-1-3-6-12/h12,16H,1-11H2,(H,18,19).
What are the key properties of 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid?
3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 82326091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).