3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid

C10H17NO2 — CID 79896074

IUPAC3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid
SMILESCCCN(C=CC(=O)O)CC1CC1
InChIInChI=1S/C10H17NO2/c1-2-6-11(7-5-10(12)13)8-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,12,13)
InChIKeyFMCDCWKNMCDXKX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.71
Rot. Bonds6

About 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid

3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid (PubChem CID 79896074) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid
PubChem CID79896074
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid
SMILESCCCN(C=CC(=O)O)CC1CC1
InChIInChI=1S/C10H17NO2/c1-2-6-11(7-5-10(12)13)8-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,12,13)
InChIKeyFMCDCWKNMCDXKX-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid (CID 79896074) is 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid is CCCN(C=CC(=O)O)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid?
The InChIKey is FMCDCWKNMCDXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-6-11(7-5-10(12)13)8-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,12,13).
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid?
3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]prop-2-enoic acid is sourced from PubChem (CID 79896074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).