3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid

C10H17NO2 — CID 62254171

IUPAC3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid
SMILESC=CCN(CC=C)CC(C)C(=O)O
InChIInChI=1S/C10H17NO2/c1-4-6-11(7-5-2)8-9(3)10(12)13/h4-5,9H,1-2,6-8H2,3H3,(H,12,13)
InChIKeyZNAVSBQNGULYAT-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds7

About 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid

3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid (PubChem CID 62254171) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid
PubChem CID62254171
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid
SMILESC=CCN(CC=C)CC(C)C(=O)O
InChIInChI=1S/C10H17NO2/c1-4-6-11(7-5-2)8-9(3)10(12)13/h4-5,9H,1-2,6-8H2,3H3,(H,12,13)
InChIKeyZNAVSBQNGULYAT-UHFFFAOYSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
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

N,N-diallyl-3-aminopropionic acid methyl ester
CID 11423962
2-[[Bis(prop-2-enyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80996437
3-[Ethyl(prop-2-en-1-yl)amino]-2,2-difluoropropanoic acid
CID 165466715
2,2-Difluoro-3-[(prop-2-en-1-yl)(propyl)amino]propanoic acid
CID 165745376
3-(1,2,2-Triallylhydrazino)propanoic acid
CID 3375557
N,N-Diallyl-3-aminopropionic acid
CID 14382127
3-[Methyl(prop-2-enyl)amino]propanoic acid
CID 17902725
3-[2-Carboxyethyl(prop-2-enyl)amino]propanoic acid
CID 53684534
Methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate
CID 60649441
3-[Propan-2-yl(prop-2-enyl)amino]propanoic acid
CID 60839148
3-[Ethyl(prop-2-enyl)amino]propanoic acid
CID 61010341
3-[Bis(prop-2-enyl)amino]butanoic acid
CID 62254005

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid (CID 62254171) is 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid is C=CCN(CC=C)CC(C)C(=O)O.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid?
The InChIKey is ZNAVSBQNGULYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-6-11(7-5-2)8-9(3)10(12)13/h4-5,9H,1-2,6-8H2,3H3,(H,12,13).
What are the key properties of 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid?
3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62254171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).