2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid

C16H20N2O3 — CID 62489576

IUPAC2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid
SMILESC=CCN(CC=C)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-4-11-18(12-5-2)15(21)17-16(3,14(19)20)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3,(H,17,21)(H,19,20)
InChIKeyPGZZMEHBFSOUAF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.37
Rot. Bonds7

About 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid

2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid (PubChem CID 62489576) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid
PubChem CID62489576
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid
SMILESC=CCN(CC=C)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-4-11-18(12-5-2)15(21)17-16(3,14(19)20)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3,(H,17,21)(H,19,20)
InChIKeyPGZZMEHBFSOUAF-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 62679681
2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62489409
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62488199
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
CID 70010051
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79265157
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid?
The IUPAC name of 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid (CID 62489576) is 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid is C=CCN(CC=C)C(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid?
The InChIKey is PGZZMEHBFSOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-11-18(12-5-2)15(21)17-16(3,14(19)20)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid?
2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 62489576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).