4-[methyl(prop-2-ynyl)amino]butanoic acid

C8H13NO2 — CID 10374657

IUPAC4-[methyl(prop-2-ynyl)amino]butanoic acid
SMILESC#CCN(C)CCCC(=O)O
InChIInChI=1S/C8H13NO2/c1-3-6-9(2)7-4-5-8(10)11/h1H,4-7H2,2H3,(H,10,11)
InChIKeySPHVVYMVERTPIB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds5

About 4-[methyl(prop-2-ynyl)amino]butanoic acid

4-[methyl(prop-2-ynyl)amino]butanoic acid (PubChem CID 10374657) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-[methyl(prop-2-ynyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(prop-2-ynyl)amino]butanoic acid
PubChem CID10374657
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-[methyl(prop-2-ynyl)amino]butanoic acid
SMILESC#CCN(C)CCCC(=O)O
InChIInChI=1S/C8H13NO2/c1-3-6-9(2)7-4-5-8(10)11/h1H,4-7H2,2H3,(H,10,11)
InChIKeySPHVVYMVERTPIB-UHFFFAOYSA-N
XLogP0.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Trimethylammoniobutanoate
CID 134
3-Carboxy-N-(2-Fluoroethyl)-N,N-Dimethylpropan-1-Aminium
CID 70673858
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
4-[Dimethyl(prop-2-ynyl)azaniumyl]butanoate
CID 90655231
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
3-Carboxypropyl(triethyl)azanium
CID 15278121
4-[3-Carboxypropyl(methyl)amino]butanoic acid
CID 20818054

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(prop-2-ynyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(prop-2-ynyl)amino]butanoic acid (CID 10374657) is 4-[methyl(prop-2-ynyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(prop-2-ynyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(prop-2-ynyl)amino]butanoic acid is C#CCN(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(prop-2-ynyl)amino]butanoic acid?
The InChIKey is SPHVVYMVERTPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-6-9(2)7-4-5-8(10)11/h1H,4-7H2,2H3,(H,10,11).
What are the key properties of 4-[methyl(prop-2-ynyl)amino]butanoic acid?
4-[methyl(prop-2-ynyl)amino]butanoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-2-ynyl)amino]butanoic acid is sourced from PubChem (CID 10374657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).