2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid

C13H20N2O3 — CID 62697513

IUPAC2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESC=CCN(CC=C)C(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C13H20N2O3/c1-3-7-15(8-4-2)11(16)9-14-12(13(17)18)10-5-6-10/h3-4,10,12,14H,1-2,5-9H2,(H,17,18)
InChIKeyZDUUUCSPRGYXIW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.64
Rot. Bonds9

About 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62697513) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62697513
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESC=CCN(CC=C)C(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C13H20N2O3/c1-3-7-15(8-4-2)11(16)9-14-12(13(17)18)10-5-6-10/h3-4,10,12,14H,1-2,5-9H2,(H,17,18)
InChIKeyZDUUUCSPRGYXIW-UHFFFAOYSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.64
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-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697339
2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
CID 62695608
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808417
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044263
2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276507
2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 62696389
2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695230
2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 62694873
methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60692089
2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid
CID 62694882
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696946

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62697513) is 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid is C=CCN(CC=C)C(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is ZDUUUCSPRGYXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-7-15(8-4-2)11(16)9-14-12(13(17)18)10-5-6-10/h3-4,10,12,14H,1-2,5-9H2,(H,17,18).
What are the key properties of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 252.31 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).