2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid

C10H16N2O4 — CID 107434388

IUPAC2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)CC1CCC1
InChIInChI=1S/C10H16N2O4/c11-8(13)5-12(6-10(15)16)9(14)4-7-2-1-3-7/h7H,1-6H2,(H2,11,13)(H,15,16)
InChIKeyPTBRHCZUWGQDHP-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.42
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid (PubChem CID 107434388) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid
PubChem CID107434388
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)CC1CCC1
InChIInChI=1S/C10H16N2O4/c11-8(13)5-12(6-10(15)16)9(14)4-7-2-1-3-7/h7H,1-6H2,(H2,11,13)(H,15,16)
InChIKeyPTBRHCZUWGQDHP-UHFFFAOYSA-N
XLogP-0.42
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid
CID 63645070
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[(2-amino-2-oxoethyl)-(cyclobutylmethyl)amino]acetic acid
CID 107440783
3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
CID 82326124
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
CID 103163676
2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
CID 107437429
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid
CID 107434308
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
CID 62782563
N-(2-amino-2-oxoethyl)-N-butyl-2-piperidin-4-ylacetamide
CID 61030078
2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
CID 62675285

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid (CID 107434388) is 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)CC1CCC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid?
The InChIKey is PTBRHCZUWGQDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c11-8(13)5-12(6-10(15)16)9(14)4-7-2-1-3-7/h7H,1-6H2,(H2,11,13)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid is sourced from PubChem (CID 107434388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).