3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid

C14H26N2O3 — CID 54925805

IUPAC3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-11(2)16(9-8-14(18)19)10-13(17)15-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZMRBITUNJUJXBA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds7

About 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid

3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid (PubChem CID 54925805) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
PubChem CID54925805
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-11(2)16(9-8-14(18)19)10-13(17)15-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZMRBITUNJUJXBA-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62028525
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 55090982
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
N-cyclohexyl-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631855
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
CID 82326965
3-[2-(cycloheptylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 62575643
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid (CID 54925805) is 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)CC(=O)NC1CCCCC1.
What is the InChIKey of 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The InChIKey is ZMRBITUNJUJXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)16(9-8-14(18)19)10-13(17)15-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 54925805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).