3-(dipropylamino)prop-2-enoic acid

C9H17NO2 — CID 79889518

IUPAC3-(dipropylamino)prop-2-enoic acid
SMILESCCCN(C=CC(=O)O)CCC
InChIInChI=1S/C9H17NO2/c1-3-6-10(7-4-2)8-5-9(11)12/h5,8H,3-4,6-7H2,1-2H3,(H,11,12)
InChIKeyOGKSZOZSLPVNHF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.71
Rot. Bonds6

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

3-(dipropylamino)prop-2-enoic acid (PubChem CID 79889518) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(dipropylamino)prop-2-enoic acid.

Molecular Properties

Compound Name3-(dipropylamino)prop-2-enoic acid
PubChem CID79889518
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(dipropylamino)prop-2-enoic acid
SMILESCCCN(C=CC(=O)O)CCC
InChIInChI=1S/C9H17NO2/c1-3-6-10(7-4-2)8-5-9(11)12/h5,8H,3-4,6-7H2,1-2H3,(H,11,12)
InChIKeyOGKSZOZSLPVNHF-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
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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Related Compounds

(Z)-but-2-enedioic acid;bis(N,N-dipropylpropan-1-amine)
CID 173189051
3-[bis(hex-2-enyl)amino]prop-2-enoic acid
CID 87504568
3-[butyl(methyl)amino]prop-2-enoic acid
CID 79889274
3-[bis(2-methylpropyl)amino]prop-2-enoic acid
CID 79896068
3-[ethyl(2,2,2-trifluoroethyl)amino]prop-2-enoic acid
CID 79896869
N,N-dipropylpent-1-en-1-amine
CID 71318717
4-[methyl(propyl)amino]but-2-enoic acid
CID 76941132
(Z)-but-2-enedioic acid;bis(N,N-dibutylbutan-1-amine)
CID 173189126
(E)-pent-2-enoic acid
CID 638122
3-[2-hydroxyethyl(methyl)amino]prop-2-enoic acid
CID 79896673
3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]prop-2-enoic acid
CID 79896863
3-[methyl-[2-oxo-2-(propylamino)ethyl]amino]prop-2-enoic acid
CID 79897297

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)prop-2-enoic acid?
The IUPAC name of 3-(dipropylamino)prop-2-enoic acid (CID 79889518) is 3-(dipropylamino)prop-2-enoic acid.
What is the SMILES notation for 3-(dipropylamino)prop-2-enoic acid?
The canonical SMILES for 3-(dipropylamino)prop-2-enoic acid is CCCN(C=CC(=O)O)CCC.
What is the InChIKey of 3-(dipropylamino)prop-2-enoic acid?
The InChIKey is OGKSZOZSLPVNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-6-10(7-4-2)8-5-9(11)12/h5,8H,3-4,6-7H2,1-2H3,(H,11,12).
What are the key properties of 3-(dipropylamino)prop-2-enoic acid?
3-(dipropylamino)prop-2-enoic acid has a molecular weight of 171.24 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-(dipropylamino)prop-2-enoic acid is sourced from PubChem (CID 79889518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).