4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid

C11H21NO2 — CID 79358752

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid
SMILESCC1(C)C(NCCCC(=O)O)C1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)9(11(10,3)4)12-7-5-6-8(13)14/h9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyUOTASCJBVSEAMP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds5

About 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid

4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid (PubChem CID 79358752) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid
PubChem CID79358752
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid
SMILESCC1(C)C(NCCCC(=O)O)C1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)9(11(10,3)4)12-7-5-6-8(13)14/h9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyUOTASCJBVSEAMP-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-carboxypropylamino)butanoic acid
CID 4072500
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310
4-(cycloheptylamino)butanoic acid
CID 43377987
CID 87067075
CID 87067075
4-[(1,1-dioxothietan-3-yl)amino]butanoic acid
CID 84675160
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
4-(spiro[4.5]decan-8-ylamino)butanoic acid
CID 114817440
4-(piperidin-4-ylamino)butanoic acid
CID 61020779
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
4-(iodoamino)butanoic acid
CID 147247435
disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid (CID 79358752) is 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid is CC1(C)C(NCCCC(=O)O)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid?
The InChIKey is UOTASCJBVSEAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)9(11(10,3)4)12-7-5-6-8(13)14/h9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid?
4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid is sourced from PubChem (CID 79358752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).