2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid

C12H20N2O5 — CID 79275518

IUPAC2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C12H20N2O5/c1-5-6-13(7-10(15)16)12(18)14(9(2)3)8-11(17)19-4/h5,9H,1,6-8H2,2-4H3,(H,15,16)
InChIKeyKDBCRDCQSXTWKN-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.56
Rot. Bonds7

About 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid

2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid (PubChem CID 79275518) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid
PubChem CID79275518
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C12H20N2O5/c1-5-6-13(7-10(15)16)12(18)14(9(2)3)8-11(17)19-4/h5,9H,1,6-8H2,2-4H3,(H,15,16)
InChIKeyKDBCRDCQSXTWKN-UHFFFAOYSA-N
XLogP0.56
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
CID 55209009
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 60948405
methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954660
2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276797
2-[(2-methoxy-2-oxoethyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79263597
2-[[methyl(3-methylbutyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276789
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 81057488
2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
CID 79263335
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl-prop-2-enylamino]acetic acid
CID 113407994
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79277475
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276660

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid (CID 79275518) is 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(CC(=O)OC)C(C)C.
What is the InChIKey of 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is KDBCRDCQSXTWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-5-6-13(7-10(15)16)12(18)14(9(2)3)8-11(17)19-4/h5,9H,1,6-8H2,2-4H3,(H,15,16).
What are the key properties of 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid?
2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).