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

C8H14N2O3 — CID 83194745

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

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

(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid (PubChem CID 83194745) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
PubChem CID83194745
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
SMILESC=CCNC(=O)CN[C@H](C)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-3-4-9-7(11)5-10-6(2)8(12)13/h3,6,10H,1,4-5H2,2H3,(H,9,11)(H,12,13)/t6-/m1/s1
InChIKeyZAMWHBCOGNKIGT-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]propanoic acid
CID 43466816
2-(hexan-2-ylamino)-N-prop-2-enylacetamide
CID 115923519
2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide
CID 115923473
2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide
CID 115923531
(2S)-2-[[2-[[2-(prop-2-enylcarbamothioylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 102370471
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194407
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 53410796
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide
CID 115923508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid (CID 83194745) is (2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid is C=CCNC(=O)CN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The InChIKey is ZAMWHBCOGNKIGT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-4-9-7(11)5-10-6(2)8(12)13/h3,6,10H,1,4-5H2,2H3,(H,9,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]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-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 83194745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).