ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate

C12H21N3O4 — CID 54949005

IUPACethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C12H21N3O4/c1-2-19-11(17)7-14-12(18)15(8-10(13)16)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,16)(H,14,18)
InChIKeyPRJQXTJISPYUQX-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.01
Rot. Bonds6

About ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate

ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate (PubChem CID 54949005) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
PubChem CID54949005
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C12H21N3O4/c1-2-19-11(17)7-14-12(18)15(8-10(13)16)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,16)(H,14,18)
InChIKeyPRJQXTJISPYUQX-UHFFFAOYSA-N
XLogP-0.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
CID 43445694
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
CID 106279068
3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109953
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(propan-2-ylamino)acetamide
CID 54871672
4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541892
tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate
CID 106707244
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589
N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide
CID 54871684
ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 42770878
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate (CID 54949005) is ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate?
The InChIKey is PRJQXTJISPYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-19-11(17)7-14-12(18)15(8-10(13)16)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,16)(H,14,18).
What are the key properties of ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate?
ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate has a molecular weight of 271.32 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate is sourced from PubChem (CID 54949005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).