2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid

C13H24N2O3 — CID 64581122

IUPAC2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid
SMILESCCN(CC(NC(C)=O)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-15(11-7-5-4-6-8-11)9-12(13(17)18)14-10(2)16/h11-12H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMIJPOFBGMGZKKH-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.23
Rot. Bonds6

About 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid

2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid (PubChem CID 64581122) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid
PubChem CID64581122
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid
SMILESCCN(CC(NC(C)=O)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-15(11-7-5-4-6-8-11)9-12(13(17)18)14-10(2)16/h11-12H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMIJPOFBGMGZKKH-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715
2-acetamido-3-[cyclopropyl(propyl)amino]propanoic acid
CID 64581319
2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid
CID 64582704
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63067576
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 64582510
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 43367909
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
3-[ethyl(thian-3-yl)amino]-2-methylpropanoic acid
CID 65062096

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid (CID 64581122) is 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid is CCN(CC(NC(C)=O)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid?
The InChIKey is MIJPOFBGMGZKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-15(11-7-5-4-6-8-11)9-12(13(17)18)14-10(2)16/h11-12H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid?
2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 64581122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).