4-[cyclopropylmethyl(propyl)amino]butanoic acid

C11H21NO2 — CID 61441614

IUPAC4-[cyclopropylmethyl(propyl)amino]butanoic acid
SMILESCCCN(CCCC(=O)O)CC1CC1
InChIInChI=1S/C11H21NO2/c1-2-7-12(9-10-5-6-10)8-3-4-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyLSMHITUHZLGQKC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds8

About 4-[cyclopropylmethyl(propyl)amino]butanoic acid

4-[cyclopropylmethyl(propyl)amino]butanoic acid (PubChem CID 61441614) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propyl)amino]butanoic acid
PubChem CID61441614
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[cyclopropylmethyl(propyl)amino]butanoic acid
SMILESCCCN(CCCC(=O)O)CC1CC1
InChIInChI=1S/C11H21NO2/c1-2-7-12(9-10-5-6-10)8-3-4-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyLSMHITUHZLGQKC-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
6-[bis(cyclopropylmethyl)amino]hexan-3-one
CID 106801480
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
CID 82770458
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
4-[butyl(ethyl)amino]butanoic acid
CID 20991778
4-(didodecylamino)butanoic acid
CID 101313875
4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propyl)amino]butanoic acid?
The IUPAC name of 4-[cyclopropylmethyl(propyl)amino]butanoic acid (CID 61441614) is 4-[cyclopropylmethyl(propyl)amino]butanoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(propyl)amino]butanoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(propyl)amino]butanoic acid is CCCN(CCCC(=O)O)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(propyl)amino]butanoic acid?
The InChIKey is LSMHITUHZLGQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-7-12(9-10-5-6-10)8-3-4-11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-[cyclopropylmethyl(propyl)amino]butanoic acid?
4-[cyclopropylmethyl(propyl)amino]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propyl)amino]butanoic acid is sourced from PubChem (CID 61441614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).