3-(prop-2-enoxycarbonylamino)propanoic acid

C7H11NO4 — CID 15381099

IUPAC3-(prop-2-enoxycarbonylamino)propanoic acid
SMILESC=CCOC(=O)NCCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-5-12-7(11)8-4-3-6(9)10/h2H,1,3-5H2,(H,8,11)(H,9,10)
InChIKeyCELKWISMRZJIFN-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.37
Rot. Bonds5

About 3-(prop-2-enoxycarbonylamino)propanoic acid

3-(prop-2-enoxycarbonylamino)propanoic acid (PubChem CID 15381099) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(prop-2-enoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(prop-2-enoxycarbonylamino)propanoic acid
PubChem CID15381099
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-(prop-2-enoxycarbonylamino)propanoic acid
SMILESC=CCOC(=O)NCCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-5-12-7(11)8-4-3-6(9)10/h2H,1,3-5H2,(H,8,11)(H,9,10)
InChIKeyCELKWISMRZJIFN-UHFFFAOYSA-N
XLogP0.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(Allyloxycarbonylamino)-1-propanol
CID 5152731
Prop-2-en-1-yl (3-oxopropyl)carbamate
CID 24798874
I(2)-Alanine, N-[(ethenyloxy)carbonyl]
CID 59347156
beta-Alanine, N-allyloxycarbonyl-, allyl ester
CID 91691278
2-Fluoro-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid
CID 165907043
4,4,4-Trifluoro-3-{[(prop-2-en-1-yloxy)carbonyl]amino}butanoic acid
CID 165907898
4,4-Difluoro-3-{[(prop-2-en-1-yloxy)carbonyl]amino}butanoic acid
CID 165918587
3,3,3-Trifluoro-2-({[(prop-2-en-1-yloxy)carbonyl]amino}methyl)propanoic acid
CID 165920375
(2S)-2-fluoro-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid
CID 165943236
2,2-Difluoro-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid
CID 165943462
methyl (3S)-3-{[(allyloxy)carbonyl]amino}butanoate
CID 11435600
3-Prop-2-enoyloxypropylcarbamic acid
CID 19422464

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(prop-2-enoxycarbonylamino)propanoic acid (CID 15381099) is 3-(prop-2-enoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(prop-2-enoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(prop-2-enoxycarbonylamino)propanoic acid is C=CCOC(=O)NCCC(=O)O.
What is the InChIKey of 3-(prop-2-enoxycarbonylamino)propanoic acid?
The InChIKey is CELKWISMRZJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-5-12-7(11)8-4-3-6(9)10/h2H,1,3-5H2,(H,8,11)(H,9,10).
What are the key properties of 3-(prop-2-enoxycarbonylamino)propanoic acid?
3-(prop-2-enoxycarbonylamino)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxycarbonylamino)propanoic acid is sourced from PubChem (CID 15381099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).