3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid

C14H26N2O4 — CID 82326965

IUPAC3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCO)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O4/c17-10-4-8-16(9-7-14(19)20)11-13(18)15-12-5-2-1-3-6-12/h12,17H,1-11H2,(H,15,18)(H,19,20)
InChIKeyWITUZYCBONKCAT-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.59
Rot. Bonds9

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

3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid (PubChem CID 82326965) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
PubChem CID82326965
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCO)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O4/c17-10-4-8-16(9-7-14(19)20)11-13(18)15-12-5-2-1-3-6-12/h12,17H,1-11H2,(H,15,18)(H,19,20)
InChIKeyWITUZYCBONKCAT-UHFFFAOYSA-N
XLogP0.59
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
3-[butyl(2-hydroxyethyl)amino]-N-cyclohexylpropanamide
CID 62016596
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656450
3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925805
N-cycloheptyl-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204158
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 82326888

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid (CID 82326965) is 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid is O=C(O)CCN(CCCO)CC(=O)NC1CCCCC1.
What is the InChIKey of 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid?
The InChIKey is WITUZYCBONKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c17-10-4-8-16(9-7-14(19)20)11-13(18)15-12-5-2-1-3-6-12/h12,17H,1-11H2,(H,15,18)(H,19,20).
What are the key properties of 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid?
3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 82326965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).