2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C17H25N3O5 — CID 155951645

IUPAC2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCC(C(=O)OCCc1cnc(=O)[nH]c1)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H25N3O5/c1-11(20(13-5-6-13)16(23)25-17(2,3)4)14(21)24-8-7-12-9-18-15(22)19-10-12/h9-11,13H,5-8H2,1-4H3,(H,18,19,22)
InChIKeyHJJZQEVBGJOJSF-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.64
Rot. Bonds6

About 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 155951645) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Name2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID155951645
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCC(C(=O)OCCc1cnc(=O)[nH]c1)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H25N3O5/c1-11(20(13-5-6-13)16(23)25-17(2,3)4)14(21)24-8-7-12-9-18-15(22)19-10-12/h9-11,13H,5-8H2,1-4H3,(H,18,19,22)
InChIKeyHJJZQEVBGJOJSF-UHFFFAOYSA-N
XLogP1.64
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate with MolForge

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Related Compounds

tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate
CID 165464943
tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate
CID 163278237
tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116860987
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 116502100
N-cyclohexylcyclohexanamine;2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 67708321
tert-butyl N-[(2Z)-2-amino-1-(4-fluorophenyl)-2-hydroxyiminoethyl]-N-cyclopropylcarbamate
CID 121210029
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
5-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080272
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid
CID 103696716
tert-butyl N-cyclopropyl-N-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]carbamate
CID 69406259
2-[4-(oxan-4-yl)phenyl]ethyl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 175718982
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 174593335

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 155951645) is 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CC(C(=O)OCCc1cnc(=O)[nH]c1)N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is HJJZQEVBGJOJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-11(20(13-5-6-13)16(23)25-17(2,3)4)14(21)24-8-7-12-9-18-15(22)19-10-12/h9-11,13H,5-8H2,1-4H3,(H,18,19,22).
What are the key properties of 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 351.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 155951645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).