3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid

C13H22N2O4 — CID 61202092

IUPAC3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCCC1CN(C(=O)N(CCC(=O)O)C2CC2)CCO1
InChIInChI=1S/C13H22N2O4/c1-2-11-9-14(7-8-19-11)13(18)15(10-3-4-10)6-5-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyPABXGJLPCSAWIA-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.16
Rot. Bonds5

About 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid

3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid (PubChem CID 61202092) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
PubChem CID61202092
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCCC1CN(C(=O)N(CCC(=O)O)C2CC2)CCO1
InChIInChI=1S/C13H22N2O4/c1-2-11-9-14(7-8-19-11)13(18)15(10-3-4-10)6-5-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyPABXGJLPCSAWIA-UHFFFAOYSA-N
XLogP1.16
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
4-[(2-ethyl-1,4-oxazepane-4-carbonyl)-methylamino]butanoic acid
CID 114218598
2-ethylmorpholine-4-carboxylic acid
CID 121455686
2-[4-[cyclohexyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433858
3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
CID 63616193
2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283600
3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115163
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435406
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid (CID 61202092) is 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid is CCC1CN(C(=O)N(CCC(=O)O)C2CC2)CCO1.
What is the InChIKey of 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid?
The InChIKey is PABXGJLPCSAWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-11-9-14(7-8-19-11)13(18)15(10-3-4-10)6-5-12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61202092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).