3-(cyclopropylamino)prop-2-enoic acid

C6H9NO2 — CID 5127861

IUPAC3-(cyclopropylamino)prop-2-enoic acid
SMILESO=C(O)C=CNC1CC1
InChIInChI=1S/C6H9NO2/c8-6(9)3-4-7-5-1-2-5/h3-5,7H,1-2H2,(H,8,9)
InChIKeyRMBZGFRPRFOSCD-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.34
Rot. Bonds3

About 3-(cyclopropylamino)prop-2-enoic acid

3-(cyclopropylamino)prop-2-enoic acid (PubChem CID 5127861) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-(cyclopropylamino)prop-2-enoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)prop-2-enoic acid
PubChem CID5127861
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-(cyclopropylamino)prop-2-enoic acid
SMILESO=C(O)C=CNC1CC1
InChIInChI=1S/C6H9NO2/c8-6(9)3-4-7-5-1-2-5/h3-5,7H,1-2H2,(H,8,9)
InChIKeyRMBZGFRPRFOSCD-UHFFFAOYSA-N
XLogP0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(Cyclopropylamino)acrylic acid
CID 6278565
(E)-3-(4,4,4-trifluorobutan-2-ylamino)prop-2-enoic acid
CID 105942342
(E)-3-[[1-(trifluoromethyl)cyclopropyl]amino]prop-2-enoic acid
CID 106215297
(E)-3-(2-fluoroethylamino)prop-2-enoic acid
CID 130504682
(E)-3-(1,1,1-trifluoropropan-2-ylamino)prop-2-enoic acid
CID 131242265
(E)-3-(1,1-difluoropropan-2-ylamino)prop-2-enoic acid
CID 131243038
(E)-3-(ethylamino)prop-2-enoic acid
CID 10236001
methyl (E)-3-(cyclopropylamino)prop-2-enoate
CID 12750424
(E)-3-(propan-2-ylamino)prop-2-enoic acid
CID 20034161
(Z)-3-(prop-2-enylamino)prop-2-enoic acid
CID 59824036
methyl (Z)-3-(cyclopropylamino)prop-2-enoate
CID 59965726
Methyl 3-(cyclopropylamino)prop-2-enoate
CID 70393244

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)prop-2-enoic acid?
The IUPAC name of 3-(cyclopropylamino)prop-2-enoic acid (CID 5127861) is 3-(cyclopropylamino)prop-2-enoic acid.
What is the SMILES notation for 3-(cyclopropylamino)prop-2-enoic acid?
The canonical SMILES for 3-(cyclopropylamino)prop-2-enoic acid is O=C(O)C=CNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)prop-2-enoic acid?
The InChIKey is RMBZGFRPRFOSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)3-4-7-5-1-2-5/h3-5,7H,1-2H2,(H,8,9).
What are the key properties of 3-(cyclopropylamino)prop-2-enoic acid?
3-(cyclopropylamino)prop-2-enoic acid has a molecular weight of 127.14 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)prop-2-enoic acid is sourced from PubChem (CID 5127861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).