2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid

C12H20N2O3 — CID 79276905

IUPAC2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CCC)C1CC1
InChIInChI=1S/C12H20N2O3/c1-3-7-13(9-11(15)16)12(17)14(8-4-2)10-5-6-10/h3,10H,1,4-9H2,2H3,(H,15,16)
InChIKeyZIHQORIFJKUHBZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.55
Rot. Bonds7

About 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid

2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid (PubChem CID 79276905) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
PubChem CID79276905
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CCC)C1CC1
InChIInChI=1S/C12H20N2O3/c1-3-7-13(9-11(15)16)12(17)14(8-4-2)10-5-6-10/h3,10H,1,4-9H2,2H3,(H,15,16)
InChIKeyZIHQORIFJKUHBZ-UHFFFAOYSA-N
XLogP1.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79275776
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283860
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275634
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
CID 64520197
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 54978335
2-[(2-methylcyclopentanecarbonyl)-prop-2-enylamino]acetic acid
CID 107175695

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid (CID 79276905) is 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(CCC)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is ZIHQORIFJKUHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-7-13(9-11(15)16)12(17)14(8-4-2)10-5-6-10/h3,10H,1,4-9H2,2H3,(H,15,16).
What are the key properties of 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid?
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79276905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).