[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate

C15H21N5O4 — CID 55701620

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
SMILESO=C(COC(=O)CCNc1ncccn1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H21N5O4/c21-12(20-15(23)19-11-4-1-2-5-11)10-24-13(22)6-9-18-14-16-7-3-8-17-14/h3,7-8,11H,1-2,4-6,9-10H2,(H,16,17,18)(H2,19,20,21,23)
InChIKeyQHVFRLBGJJDASR-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.59
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate (PubChem CID 55701620) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
PubChem CID55701620
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
SMILESO=C(COC(=O)CCNc1ncccn1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H21N5O4/c21-12(20-15(23)19-11-4-1-2-5-11)10-24-13(22)6-9-18-14-16-7-3-8-17-14/h3,7-8,11H,1-2,4-6,9-10H2,(H,16,17,18)(H2,19,20,21,23)
InChIKeyQHVFRLBGJJDASR-UHFFFAOYSA-N
XLogP0.59
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 3426588
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840574
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139997
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 46789069
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307465
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635206
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3948557
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30317027
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 7895974
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413621
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524467

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate (CID 55701620) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate is O=C(COC(=O)CCNc1ncccn1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The InChIKey is QHVFRLBGJJDASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c21-12(20-15(23)19-11-4-1-2-5-11)10-24-13(22)6-9-18-14-16-7-3-8-17-14/h3,7-8,11H,1-2,4-6,9-10H2,(H,16,17,18)(H2,19,20,21,23).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate has a molecular weight of 335.36 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate is sourced from PubChem (CID 55701620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).