2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid

C12H22N2O3 — CID 79269392

IUPAC2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)14(8-11(16)17)7-10(15)13(4)9-5-6-9/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyIWHUCAJFZRYTQB-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.79
Rot. Bonds5

About 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid

2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 79269392) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID79269392
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)14(8-11(16)17)7-10(15)13(4)9-5-6-9/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyIWHUCAJFZRYTQB-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269029
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654
2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
CID 79268300
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid
CID 79256990
3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60833671
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid (CID 79269392) is 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid is CN(C(=O)CN(CC(=O)O)C(C)(C)C)C1CC1.
What is the InChIKey of 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is IWHUCAJFZRYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)14(8-11(16)17)7-10(15)13(4)9-5-6-9/h9H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 79269392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).