4-[propan-2-yl(prop-2-enyl)amino]butanoic acid

C10H19NO2 — CID 60835222

IUPAC4-[propan-2-yl(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H19NO2/c1-4-7-11(9(2)3)8-5-6-10(12)13/h4,9H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyKBYDNFRHXIZRNM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds7

About 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid

4-[propan-2-yl(prop-2-enyl)amino]butanoic acid (PubChem CID 60835222) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(prop-2-enyl)amino]butanoic acid
PubChem CID60835222
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[propan-2-yl(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H19NO2/c1-4-7-11(9(2)3)8-5-6-10(12)13/h4,9H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyKBYDNFRHXIZRNM-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.75
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

4-[Dimethyl(prop-2-enyl)azaniumyl]butanoate
CID 90655227
4-(N,N-diallyl-N-methylammonio)-butanoate
CID 87275044
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685
4-(Diprop-2-enylamino)butanoic acid
CID 14855695
4-[Bis(prop-2-enyl)amino]butanoic acid;hydrochloride
CID 14855696
4-[Methyl(prop-2-enyl)amino]butanoic acid
CID 19426631
4-[Bis(methylethyl)amino]butanoic acid
CID 19900411
4-[Ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
Bis(3-carboxypropyl)-bis(prop-2-enyl)azanium
CID 57213889
4-Oxo-4-[propan-2-yl(prop-2-enyl)amino]butanoic acid
CID 59324980
3-[Propan-2-yl(prop-2-enyl)amino]propanoic acid
CID 60839148
3-[Bis(prop-2-enyl)amino]butanoic acid
CID 62254005

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid (CID 60835222) is 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid is C=CCN(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid?
The InChIKey is KBYDNFRHXIZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-11(9(2)3)8-5-6-10(12)13/h4,9H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid?
4-[propan-2-yl(prop-2-enyl)amino]butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(prop-2-enyl)amino]butanoic acid is sourced from PubChem (CID 60835222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).