2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid

C12H22N2O3 — CID 61160915

IUPAC2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid
SMILESCC(C)(C)NCCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-7-6-10(15)14(8-11(16)17)9-4-5-9/h9,13H,4-8H2,1-3H3,(H,16,17)
InChIKeyDWSNEKGTARKXDC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds6

About 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid

2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid (PubChem CID 61160915) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid
PubChem CID61160915
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid
SMILESCC(C)(C)NCCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-7-6-10(15)14(8-11(16)17)9-4-5-9/h9,13H,4-8H2,1-3H3,(H,16,17)
InChIKeyDWSNEKGTARKXDC-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide
CID 54872939
2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid
CID 120517721
3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 60936843
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
2-[cyclopropyl(nonanoyl)amino]acetic acid
CID 54945844
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid
CID 119194773
N-butyl-3-(tert-butylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 60940286
2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid
CID 62680100
2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
CID 60825422
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid (CID 61160915) is 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid is CC(C)(C)NCCC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid?
The InChIKey is DWSNEKGTARKXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)13-7-6-10(15)14(8-11(16)17)9-4-5-9/h9,13H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid?
2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 61160915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).