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

C6H12N2O2 — CID 64581240

IUPAC2-amino-3-(prop-2-enylamino)propanoic acid
SMILESC=CCNCC(N)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-2-3-8-4-5(7)6(9)10/h2,5,8H,1,3-4,7H2,(H,9,10)
InChIKeySKDASGNDFYKKOG-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.83
Rot. Bonds5

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

2-amino-3-(prop-2-enylamino)propanoic acid (PubChem CID 64581240) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-amino-3-(prop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(prop-2-enylamino)propanoic acid
PubChem CID64581240
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-amino-3-(prop-2-enylamino)propanoic acid
SMILESC=CCNCC(N)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-2-3-8-4-5(7)6(9)10/h2,5,8H,1,3-4,7H2,(H,9,10)
InChIKeySKDASGNDFYKKOG-UHFFFAOYSA-N
XLogP-0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-Azalysine
CID 22839376
3-[(Prop-2-en-1-yl)amino]propanoic acid
CID 14093037
3-(2-Propen-1-ylamino)-butanoic acid
CID 14093038
2-Amino-3-(2-aminoethylamino)propanoic acid
CID 18781919
(2R)-2-amino-3-(2-aminoethylamino)propanoic acid
CID 55290336
(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid
CID 59882209
(2S)-2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 59882216
3-(But-3-en-2-ylamino)propanoic acid
CID 62383247
1-Prop-2-enylpiperazine-2-carboxylic acid
CID 65629696
3-Amino-2-(prop-2-enylamino)propanoic acid
CID 65815460
2,3,4,5-tetrahydro-1H-1,4-diazepine-2-carboxylic acid
CID 67614368
2-Amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid
CID 69404602

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(prop-2-enylamino)propanoic acid?
The IUPAC name of 2-amino-3-(prop-2-enylamino)propanoic acid (CID 64581240) is 2-amino-3-(prop-2-enylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(prop-2-enylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(prop-2-enylamino)propanoic acid is C=CCNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(prop-2-enylamino)propanoic acid?
The InChIKey is SKDASGNDFYKKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-8-4-5(7)6(9)10/h2,5,8H,1,3-4,7H2,(H,9,10).
What are the key properties of 2-amino-3-(prop-2-enylamino)propanoic acid?
2-amino-3-(prop-2-enylamino)propanoic acid has a molecular weight of 144.17 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(prop-2-enylamino)propanoic acid is sourced from PubChem (CID 64581240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).