(2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide

C14H22N4O5 — CID 14515583

IUPAC(2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide
SMILESCCc1cn([C@H]2C[C@H](NC(=O)[C@H](C)N)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O5/c1-3-8-5-18(14(22)17-13(8)21)11-4-9(10(6-19)23-11)16-12(20)7(2)15/h5,7,9-11,19H,3-4,6,15H2,1-2H3,(H,16,20)(H,17,21,22)/t7-,9-,10+,11+/m0/s1
InChIKeyYWMSATVTSXYPEG-CPOMMVLXSA-N
MW326.35 g/mol
LogP-1.79
Rot. Bonds5

About (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide

(2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide (PubChem CID 14515583) has the molecular formula C14H22N4O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide
PubChem CID14515583
Molecular FormulaC14H22N4O5
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name(2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide
SMILESCCc1cn([C@H]2C[C@H](NC(=O)[C@H](C)N)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O5/c1-3-8-5-18(14(22)17-13(8)21)11-4-9(10(6-19)23-11)16-12(20)7(2)15/h5,7,9-11,19H,3-4,6,15H2,1-2H3,(H,16,20)(H,17,21,22)/t7-,9-,10+,11+/m0/s1
InChIKeyYWMSATVTSXYPEG-CPOMMVLXSA-N
XLogP-1.79
TPSA139.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide (CID 14515583) is (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide is CCc1cn([C@H]2C[C@H](NC(=O)[C@H](C)N)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide?
The InChIKey is YWMSATVTSXYPEG-CPOMMVLXSA-N. The full InChI is InChI=1S/C14H22N4O5/c1-3-8-5-18(14(22)17-13(8)21)11-4-9(10(6-19)23-11)16-12(20)7(2)15/h5,7,9-11,19H,3-4,6,15H2,1-2H3,(H,16,20)(H,17,21,22)/t7-,9-,10+,11+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide?
(2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide has a molecular weight of 326.35 g/mol, XLogP of -1.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 14515583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).