2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid

C12H22N2O3 — CID 60840485

IUPAC2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)7-11(15)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGNYHQDRYPIXNGX-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds6

About 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid

2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid (PubChem CID 60840485) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
PubChem CID60840485
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)7-11(15)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGNYHQDRYPIXNGX-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-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925805
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838279
N-cyclohexyl-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631855
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]acetamide
CID 43067880
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
N-cyclopentyl-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62015869
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid (CID 60840485) is 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The InChIKey is GNYHQDRYPIXNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)7-11(15)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]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-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60840485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).