2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid

C11H19NO3 — CID 103925577

IUPAC2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CC1CCC1
InChIInChI=1S/C11H19NO3/c1-8(2)12(7-11(14)15)10(13)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeySBIMUNUXDQZZDT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

About 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid

2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid (PubChem CID 103925577) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
PubChem CID103925577
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CC1CCC1
InChIInChI=1S/C11H19NO3/c1-8(2)12(7-11(14)15)10(13)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeySBIMUNUXDQZZDT-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580887
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823
N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide
CID 103166636
2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198157
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
N-(3-bromopropyl)-2-cyclopentyl-N-propan-2-ylacetamide
CID 80662000
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
CID 61162023
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61189877
N-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid (CID 103925577) is 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CC1CCC1.
What is the InChIKey of 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid?
The InChIKey is SBIMUNUXDQZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)12(7-11(14)15)10(13)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid?
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 103925577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).