2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid

C10H17NO2 — CID 79285826

IUPAC2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(C)C1CC1
InChIInChI=1S/C10H17NO2/c1-3-6-11(7-10(12)13)8(2)9-4-5-9/h3,8-9H,1,4-7H2,2H3,(H,12,13)
InChIKeyOIGABYLYYQXTCX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds6

About 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid

2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid (PubChem CID 79285826) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
PubChem CID79285826
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(C)C1CC1
InChIInChI=1S/C10H17NO2/c1-3-6-11(7-10(12)13)8(2)9-4-5-9/h3,8-9H,1,4-7H2,2H3,(H,12,13)
InChIKeyOIGABYLYYQXTCX-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
CID 65064339
2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid
CID 79285638
2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276507
2-[1-cyclopropylethyl(propan-2-yl)amino]acetic acid
CID 65057237
2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426275
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-prop-2-enylamino]acetic acid
CID 79276444
2-[(4-methoxy-4-methylpentan-2-yl)-prop-2-enylamino]acetic acid
CID 79285806
2-[but-3-en-2-yl(ethyl)amino]acetic acid
CID 62381772
2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 100636955
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
CID 116678360

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid (CID 79285826) is 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is OIGABYLYYQXTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-6-11(7-10(12)13)8(2)9-4-5-9/h3,8-9H,1,4-7H2,2H3,(H,12,13).
What are the key properties of 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid?
2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79285826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).