3-aminopropanoic acid;2-(prop-2-enylamino)acetamide

C8H17N3O3 — CID 87493983

IUPAC3-aminopropanoic acid;2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(N)=O.NCCC(=O)O
InChIInChI=1S/C5H10N2O.C3H7NO2/c1-2-3-7-4-5(6)8;4-2-1-3(5)6/h2,7H,1,3-4H2,(H2,6,8);1-2,4H2,(H,5,6)
InChIKeyMQTFETRKSJDRGU-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.33
Rot. Bonds6

About 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide

3-aminopropanoic acid;2-(prop-2-enylamino)acetamide (PubChem CID 87493983) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound Name3-aminopropanoic acid;2-(prop-2-enylamino)acetamide
PubChem CID87493983
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-aminopropanoic acid;2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(N)=O.NCCC(=O)O
InChIInChI=1S/C5H10N2O.C3H7NO2/c1-2-3-7-4-5(6)8;4-2-1-3(5)6/h2,7H,1,3-4H2,(H2,6,8);1-2,4H2,(H,5,6)
InChIKeyMQTFETRKSJDRGU-UHFFFAOYSA-N
XLogP-1.33
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-Amino-2-(prop-2-enylamino)propanoic acid
CID 65815460
3-Aminopropanoic acid;2-(prop-2-enylamino)propanamide
CID 87492445
3-Aminopropanoic acid;3-(prop-2-enylamino)propanamide
CID 87493085
2-[2-[2-(Prop-2-enylamino)ethylamino]ethylamino]acetic acid
CID 87553319
3-[3-(Prop-2-enylamino)propylamino]propanoic acid
CID 87700883
(2S)-3-amino-2-(prop-2-enylamino)propanoic acid
CID 87821179
3-[Carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 87994891
3-[4-[2-Oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43397032
3-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466541
3-[[2-Oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 43466669
3-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoic acid
CID 43466742
3-[Tert-butyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 54925905

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide?
The IUPAC name of 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide (CID 87493983) is 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide.
What is the SMILES notation for 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide?
The canonical SMILES for 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide is C=CCNCC(N)=O.NCCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide?
The InChIKey is MQTFETRKSJDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C3H7NO2/c1-2-3-7-4-5(6)8;4-2-1-3(5)6/h2,7H,1,3-4H2,(H2,6,8);1-2,4H2,(H,5,6).
What are the key properties of 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide?
3-aminopropanoic acid;2-(prop-2-enylamino)acetamide has a molecular weight of 203.24 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 87493983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).