(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid

C8H14N2O3 — CID 79278714

IUPAC(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
SMILESC=CCNCC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-3-4-9-5-7(11)10-6(2)8(12)13/h3,6,9H,1,4-5H2,2H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyOQTWTBBWKCYVGQ-ZCFIWIBFSA-N
MW186.21 g/mol
LogP-0.65
Rot. Bonds6

About (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid

(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid (PubChem CID 79278714) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
PubChem CID79278714
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
SMILESC=CCNCC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-3-4-9-5-7(11)10-6(2)8(12)13/h3,6,9H,1,4-5H2,2H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyOQTWTBBWKCYVGQ-ZCFIWIBFSA-N
XLogP-0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.65
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

3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79279619
(2R)-3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79278244
(2S)-2-[[2-[[2-(prop-2-enylcarbamothioylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 102370471
N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79285561
N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 78914225
N-heptan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914226
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726
N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659
N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388626
N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid (CID 79278714) is (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid is C=CCNCC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid?
The InChIKey is OQTWTBBWKCYVGQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-4-9-5-7(11)10-6(2)8(12)13/h3,6,9H,1,4-5H2,2H3,(H,10,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid?
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 79278714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).