2-[cyclobutylmethyl(ethyl)amino]butanoic acid

C11H21NO2 — CID 107399547

IUPAC2-[cyclobutylmethyl(ethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC)CC1CCC1
InChIInChI=1S/C11H21NO2/c1-3-10(11(13)14)12(4-2)8-9-6-5-7-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyPXIOXHWUKPPFGQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

About 2-[cyclobutylmethyl(ethyl)amino]butanoic acid

2-[cyclobutylmethyl(ethyl)amino]butanoic acid (PubChem CID 107399547) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)amino]butanoic acid
PubChem CID107399547
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[cyclobutylmethyl(ethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC)CC1CCC1
InChIInChI=1S/C11H21NO2/c1-3-10(11(13)14)12(4-2)8-9-6-5-7-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyPXIOXHWUKPPFGQ-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
CID 83040578
3-[cyclopentylmethyl(ethyl)amino]butanoic acid
CID 62825666
2-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402367
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236412
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
2-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]butanoic acid
CID 107400099
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]butanoic acid?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]butanoic acid (CID 107399547) is 2-[cyclobutylmethyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)amino]butanoic acid?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)amino]butanoic acid is CCC(C(=O)O)N(CC)CC1CCC1.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)amino]butanoic acid?
The InChIKey is PXIOXHWUKPPFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(11(13)14)12(4-2)8-9-6-5-7-9/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[cyclobutylmethyl(ethyl)amino]butanoic acid?
2-[cyclobutylmethyl(ethyl)amino]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 107399547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).