2-methyl-3-(prop-2-enylamino)propanoic acid

C7H13NO2 — CID 43538344

IUPAC2-methyl-3-(prop-2-enylamino)propanoic acid
SMILESC=CCNCC(C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-4-8-5-6(2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)
InChIKeyJNIQLXRJDIGTGO-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.48
Rot. Bonds5

About 2-methyl-3-(prop-2-enylamino)propanoic acid

2-methyl-3-(prop-2-enylamino)propanoic acid (PubChem CID 43538344) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methyl-3-(prop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(prop-2-enylamino)propanoic acid
PubChem CID43538344
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methyl-3-(prop-2-enylamino)propanoic acid
SMILESC=CCNCC(C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-4-8-5-6(2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)
InChIKeyJNIQLXRJDIGTGO-UHFFFAOYSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 16228510
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CID 5242131
3,3,3-Trifluoro-2-[(prop-2-enylamino)methyl]propanoic acid
CID 103230616
3,3,3-Trifluoro-2-[(3-methylbut-2-enylamino)methyl]propanoic acid
CID 106190456
2,2-Difluoro-3-[(prop-2-en-1-yl)amino]propanoic acid
CID 165789028
3-[(But-2-en-1-yl)amino]-2,2-difluoropropanoic acid
CID 165790350
3-[(Prop-2-en-1-yl)amino]propanoic acid
CID 14093037
3-(2-Propen-1-ylamino)-butanoic acid
CID 14093038
2-Methyl-3-oxo-3-(prop-2-enylamino)propanoic acid
CID 22450830
3-(Prop-2-enylazaniumyl)propanoate
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Methyl 2-methyl-3-[(prop-2-en-1-yl)amino]propanoate
CID 43398422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(prop-2-enylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(prop-2-enylamino)propanoic acid (CID 43538344) is 2-methyl-3-(prop-2-enylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(prop-2-enylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(prop-2-enylamino)propanoic acid is C=CCNCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(prop-2-enylamino)propanoic acid?
The InChIKey is JNIQLXRJDIGTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-8-5-6(2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 2-methyl-3-(prop-2-enylamino)propanoic acid?
2-methyl-3-(prop-2-enylamino)propanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(prop-2-enylamino)propanoic acid is sourced from PubChem (CID 43538344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).