2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid

C13H21N3O4 — CID 79275634

IUPAC2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C13H21N3O4/c1-2-7-15(9-12(18)19)13(20)16(8-11(14)17)10-5-3-4-6-10/h2,10H,1,3-9H2,(H2,14,17)(H,18,19)
InChIKeyLEPUJXIREPLNKN-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.41
Rot. Bonds7

About 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid

2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid (PubChem CID 79275634) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid
PubChem CID79275634
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C13H21N3O4/c1-2-7-15(9-12(18)19)13(20)16(8-11(14)17)10-5-3-4-6-10/h2,10H,1,3-9H2,(H2,14,17)(H,18,19)
InChIKeyLEPUJXIREPLNKN-UHFFFAOYSA-N
XLogP0.41
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79275776
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[(2-methylcyclopentanecarbonyl)-prop-2-enylamino]acetic acid
CID 107175695
2-[piperidine-3-carbonyl(prop-2-enyl)amino]acetic acid
CID 79265013
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995
2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 79262135
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 79275611
2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid
CID 107434388

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid (CID 79275634) is 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is LEPUJXIREPLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-7-15(9-12(18)19)13(20)16(8-11(14)17)10-5-3-4-6-10/h2,10H,1,3-9H2,(H2,14,17)(H,18,19).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid?
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).