3-amino-2-(prop-1-en-2-ylamino)propanoic acid

C6H12N2O2 — CID 135150363

IUPAC3-amino-2-(prop-1-en-2-ylamino)propanoic acid
SMILESC=C(C)NC(CN)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-4(2)8-5(3-7)6(9)10/h5,8H,1,3,7H2,2H3,(H,9,10)
InChIKeyFQGKUDJTAFWSCY-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.48
Rot. Bonds4

About 3-amino-2-(prop-1-en-2-ylamino)propanoic acid

3-amino-2-(prop-1-en-2-ylamino)propanoic acid (PubChem CID 135150363) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-2-(prop-1-en-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(prop-1-en-2-ylamino)propanoic acid
PubChem CID135150363
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-2-(prop-1-en-2-ylamino)propanoic acid
SMILESC=C(C)NC(CN)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-4(2)8-5(3-7)6(9)10/h5,8H,1,3,7H2,2H3,(H,9,10)
InChIKeyFQGKUDJTAFWSCY-UHFFFAOYSA-N
XLogP-0.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7020984
3-amino-2-(propoxycarbonylamino)propanoic acid
CID 54022488
3-amino-2-(hexadecanoylamino)propanoic acid
CID 155315524
4-methylsulfanyl-3-(prop-1-en-2-ylamino)butan-2-one
CID 20644504
(2S)-3-amino-2-[[hydroxy(methyl)boranyl]amino]propanoic acid
CID 59902605
3-amino-2-[(3-carbamoyloxirane-2-carbonyl)amino]propanoic acid
CID 163082840
(4S)-4-amino-5-[[(1S)-2-amino-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 138674221
2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 62669281
3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid
CID 159178317
3-amino-2-methylpropanoic acid;(2S)-2-(methylamino)butanedioic acid
CID 90177526

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(prop-1-en-2-ylamino)propanoic acid?
The IUPAC name of 3-amino-2-(prop-1-en-2-ylamino)propanoic acid (CID 135150363) is 3-amino-2-(prop-1-en-2-ylamino)propanoic acid.
What is the SMILES notation for 3-amino-2-(prop-1-en-2-ylamino)propanoic acid?
The canonical SMILES for 3-amino-2-(prop-1-en-2-ylamino)propanoic acid is C=C(C)NC(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(prop-1-en-2-ylamino)propanoic acid?
The InChIKey is FQGKUDJTAFWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)8-5(3-7)6(9)10/h5,8H,1,3,7H2,2H3,(H,9,10).
What are the key properties of 3-amino-2-(prop-1-en-2-ylamino)propanoic acid?
3-amino-2-(prop-1-en-2-ylamino)propanoic acid has a molecular weight of 144.17 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(prop-1-en-2-ylamino)propanoic acid is sourced from PubChem (CID 135150363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).