ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate

C14H21N3O4 — CID 154665114

IUPACethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate
SMILESCCOC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)c1cncnc1
InChIInChI=1S/C14H21N3O4/c1-6-20-12(18)10(2)17(11-7-15-9-16-8-11)13(19)21-14(3,4)5/h7-10H,6H2,1-5H3/t10-/m1/s1
InChIKeyMCQGXKQZHSXAJE-SNVBAGLBSA-N
MW295.34 g/mol
LogP2.17
Rot. Bonds4

About ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate

ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate (PubChem CID 154665114) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate
PubChem CID154665114
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate
SMILESCCOC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)c1cncnc1
InChIInChI=1S/C14H21N3O4/c1-6-20-12(18)10(2)17(11-7-15-9-16-8-11)13(19)21-14(3,4)5/h7-10H,6H2,1-5H3/t10-/m1/s1
InChIKeyMCQGXKQZHSXAJE-SNVBAGLBSA-N
XLogP2.17
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-amino-N-pyrimidin-5-ylcarbamate
CID 118992220
tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate
CID 53338914
ethyl (2S)-2-[2-(4-butylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoate
CID 141179469
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate
CID 22135000
tert-butyl N-nitro-N-pyrimidin-5-ylcarbamate
CID 140615442
ethyl (2S)-2-(N-acetyl-4-ethoxyanilino)propanoate
CID 71304548
tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate
CID 175287740
ethyl (2S)-3-methyl-2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]anilino]butanoate
CID 102400365
ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
CID 79386594
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate
CID 89116741
4-O-tert-butyl 1-O-ethyl (3R)-3-methyl-2-pyridin-3-ylbutanedioate
CID 70336338

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate?
The IUPAC name of ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate (CID 154665114) is ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate?
The canonical SMILES for ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate is CCOC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)c1cncnc1.
What is the InChIKey of ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate?
The InChIKey is MCQGXKQZHSXAJE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-6-20-12(18)10(2)17(11-7-15-9-16-8-11)13(19)21-14(3,4)5/h7-10H,6H2,1-5H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate?
ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate has a molecular weight of 295.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate is sourced from PubChem (CID 154665114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).