2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid

C12H21N3O4 — CID 54945675

IUPAC2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
SMILESCC(C)(C)NC(=O)NC(=O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C12H21N3O4/c1-12(2,3)14-11(19)13-9(16)6-15(7-10(17)18)8-4-5-8/h8H,4-7H2,1-3H3,(H,17,18)(H2,13,14,16,19)
InChIKeyHDOTYZOVEBPLGH-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds5

About 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid

2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid (PubChem CID 54945675) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
PubChem CID54945675
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
SMILESCC(C)(C)NC(=O)NC(=O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C12H21N3O4/c1-12(2,3)14-11(19)13-9(16)6-15(7-10(17)18)8-4-5-8/h8H,4-7H2,1-3H3,(H,17,18)(H2,13,14,16,19)
InChIKeyHDOTYZOVEBPLGH-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(tert-butylcarbamoyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 34619301
2-[azetidin-3-yl(propyl)amino]-N-(tert-butylcarbamoyl)acetamide
CID 66216311
2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 60834931
2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65066014
2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065934
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
CID 57287065
3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60840718
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylacetamide
CID 54997633
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
N-(tert-butylcarbamoyl)-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 134043055

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid (CID 54945675) is 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid is CC(C)(C)NC(=O)NC(=O)CN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid?
The InChIKey is HDOTYZOVEBPLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2,3)14-11(19)13-9(16)6-15(7-10(17)18)8-4-5-8/h8H,4-7H2,1-3H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid?
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 54945675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).