2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid

C8H13NO2 — CID 103231165

IUPAC2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid
SMILESC=C(CNCC1CC1)C(=O)O
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)4-9-5-7-2-3-7/h7,9H,1-5H2,(H,10,11)
InChIKeyVEYUMTZXDSMUKQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds5

About 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid

2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid (PubChem CID 103231165) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid
PubChem CID103231165
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid
SMILESC=C(CNCC1CC1)C(=O)O
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)4-9-5-7-2-3-7/h7,9H,1-5H2,(H,10,11)
InChIKeyVEYUMTZXDSMUKQ-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid (CID 103231165) is 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid is C=C(CNCC1CC1)C(=O)O.
What is the InChIKey of 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid?
The InChIKey is VEYUMTZXDSMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(8(10)11)4-9-5-7-2-3-7/h7,9H,1-5H2,(H,10,11).
What are the key properties of 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid?
2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103231165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).