4-[1-cyclopropylpropyl(methyl)amino]butanoic acid

C11H21NO2 — CID 65067773

IUPAC4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
SMILESCCC(C1CC1)N(C)CCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-3-10(9-6-7-9)12(2)8-4-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXUNIDQRSYMNFFJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds7

About 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid

4-[1-cyclopropylpropyl(methyl)amino]butanoic acid (PubChem CID 65067773) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
PubChem CID65067773
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
SMILESCCC(C1CC1)N(C)CCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-3-10(9-6-7-9)12(2)8-4-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXUNIDQRSYMNFFJ-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332
4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide
CID 116653004
3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid
CID 83817691
3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
5-cyclobutyl-5-(dimethylamino)pentanoic acid
CID 116907953
2-[1-cyclopropylpropyl(ethyl)amino]acetic acid
CID 65063687
4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
CID 65067772
4-[3-ethylpentanoyl(methyl)amino]butanoic acid
CID 119347002
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
CID 43264449
4-[[[dimethylamino(sulfanyl)methyl]sulfanylmethylsulfanyl-sulfanylmethyl]-methylamino]butanoic acid
CID 170561493
6-[1-hydroxypropan-2-yl(methyl)amino]hexanoic acid
CID 104552515

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid (CID 65067773) is 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid is CCC(C1CC1)N(C)CCCC(=O)O.
What is the InChIKey of 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid?
The InChIKey is XUNIDQRSYMNFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(9-6-7-9)12(2)8-4-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid?
4-[1-cyclopropylpropyl(methyl)amino]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylpropyl(methyl)amino]butanoic acid is sourced from PubChem (CID 65067773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).