2-[butyl(prop-2-enyl)amino]acetic acid

C9H17NO2 — CID 79277573

IUPAC2-[butyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCCC)CC(=O)O
InChIInChI=1S/C9H17NO2/c1-3-5-7-10(6-4-2)8-9(11)12/h4H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyOEZWEALNYOMHGD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.36
Rot. Bonds7

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

2-[butyl(prop-2-enyl)amino]acetic acid (PubChem CID 79277573) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[butyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butyl(prop-2-enyl)amino]acetic acid
PubChem CID79277573
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[butyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCCC)CC(=O)O
InChIInChI=1S/C9H17NO2/c1-3-5-7-10(6-4-2)8-9(11)12/h4H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyOEZWEALNYOMHGD-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
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-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid
CID 103181355
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[3-(3,5-dimethylphenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275496
2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276238
2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid
CID 106727614
(Z)-but-2-enedioic acid;bis(N,N-dibutylbutan-1-amine)
CID 173189126
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
2-[propyl(undecyl)amino]acetic acid
CID 146831092
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[butyl(prop-2-enyl)amino]acetic acid (CID 79277573) is 2-[butyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[butyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[butyl(prop-2-enyl)amino]acetic acid is C=CCN(CCCC)CC(=O)O.
What is the InChIKey of 2-[butyl(prop-2-enyl)amino]acetic acid?
The InChIKey is OEZWEALNYOMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-7-10(6-4-2)8-9(11)12/h4H,2-3,5-8H2,1H3,(H,11,12).
What are the key properties of 2-[butyl(prop-2-enyl)amino]acetic acid?
2-[butyl(prop-2-enyl)amino]acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79277573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).