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

C6H12N2O2 — CID 87821179

IUPAC(2S)-3-amino-2-(prop-2-enylamino)propanoic acid
SMILESC=CCN[C@@H](CN)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-2-3-8-5(4-7)6(9)10/h2,5,8H,1,3-4,7H2,(H,9,10)/t5-/m0/s1
InChIKeyHDIPZVZAFAKKDG-YFKPBYRVSA-N
MW144.17 g/mol
LogP-0.83
Rot. Bonds5

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

(2S)-3-amino-2-(prop-2-enylamino)propanoic acid (PubChem CID 87821179) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S)-3-amino-2-(prop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-(prop-2-enylamino)propanoic acid
PubChem CID87821179
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S)-3-amino-2-(prop-2-enylamino)propanoic acid
SMILESC=CCN[C@@H](CN)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-2-3-8-5(4-7)6(9)10/h2,5,8H,1,3-4,7H2,(H,9,10)/t5-/m0/s1
InChIKeyHDIPZVZAFAKKDG-YFKPBYRVSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-propenyl)alanine
CID 45086547
Allyl-selenocysteine
CID 87280558
2,3-Bis(prop-2-enylamino)butanedioic acid
CID 13186906
N-Allyl-DL-alanine
CID 13326683
2-(But-3-en-2-ylamino)propanoic acid
CID 18426357
(2R)-2-(but-3-en-2-ylamino)propanoic acid
CID 18664909
2-[[(E)-but-2-enyl]amino]propanoic acid
CID 43467300
(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid
CID 59882209
(2S)-2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 59882216
2-Amino-3-(prop-2-enylamino)propanoic acid
CID 64581240
1-Prop-2-enylpiperazine-2-carboxylic acid
CID 65629696
3-Amino-2-(prop-2-enylamino)propanoic acid
CID 65815460

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(prop-2-enylamino)propanoic acid?
The IUPAC name of (2S)-3-amino-2-(prop-2-enylamino)propanoic acid (CID 87821179) is (2S)-3-amino-2-(prop-2-enylamino)propanoic acid.
What is the SMILES notation for (2S)-3-amino-2-(prop-2-enylamino)propanoic acid?
The canonical SMILES for (2S)-3-amino-2-(prop-2-enylamino)propanoic acid is C=CCN[C@@H](CN)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-(prop-2-enylamino)propanoic acid?
The InChIKey is HDIPZVZAFAKKDG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-8-5(4-7)6(9)10/h2,5,8H,1,3-4,7H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-3-amino-2-(prop-2-enylamino)propanoic acid?
(2S)-3-amino-2-(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 (2S)-3-amino-2-(prop-2-enylamino)propanoic acid is sourced from PubChem (CID 87821179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).