2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid

C11H21NO2 — CID 79268300

IUPAC2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
SMILESCC(C)(C)N(CCC1CC1)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-11(2,3)12(8-10(13)14)7-6-9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyAHFUGWWGUZIPJO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds5

About 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid

2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid (PubChem CID 79268300) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
PubChem CID79268300
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
SMILESCC(C)(C)N(CCC1CC1)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-11(2,3)12(8-10(13)14)7-6-9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyAHFUGWWGUZIPJO-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid
CID 79268970
2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
CID 79269476
2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
CID 79268852
1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one
CID 170224298
2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120
2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
CID 22044432
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
N-(2-cyclopropylethyl)-N-methylacetamide
CID 130751028
3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60833671
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid (CID 79268300) is 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid is CC(C)(C)N(CCC1CC1)CC(=O)O.
What is the InChIKey of 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid?
The InChIKey is AHFUGWWGUZIPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)12(8-10(13)14)7-6-9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid?
2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid is sourced from PubChem (CID 79268300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).