2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide

C17H25N7O9 — CID 163109125

IUPAC2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide
SMILESNC(=O)CCC(NC(=O)CNC(N)=O)C(=O)NCC1OC(c2c[nH]c(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C17H25N7O9/c18-9(25)2-1-7(23-10(26)5-21-16(19)31)15(30)20-4-8-11(27)12(28)13(33-8)6-3-22-17(32)24-14(6)29/h3,7-8,11-13,27-28H,1-2,4-5H2,(H2,18,25)(H,20,30)(H,23,26)(H3,19,21,31)(H2,22,24,29,32)
InChIKeyGUGMQPOGUDNZHB-UHFFFAOYSA-N
MW471.43 g/mol
LogP-5.24
Rot. Bonds10

About 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide

2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide (PubChem CID 163109125) has the molecular formula C17H25N7O9 and a molecular weight of 471.43 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide
PubChem CID163109125
Molecular FormulaC17H25N7O9
Molecular Weight471.43 g/mol
Exact Mass471.17
IUPAC Name2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide
SMILESNC(=O)CCC(NC(=O)CNC(N)=O)C(=O)NCC1OC(c2c[nH]c(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C17H25N7O9/c18-9(25)2-1-7(23-10(26)5-21-16(19)31)15(30)20-4-8-11(27)12(28)13(33-8)6-3-22-17(32)24-14(6)29/h3,7-8,11-13,27-28H,1-2,4-5H2,(H2,18,25)(H,20,30)(H,23,26)(H3,19,21,31)(H2,22,24,29,32)
InChIKeyGUGMQPOGUDNZHB-UHFFFAOYSA-N
XLogP-5.24
TPSA271.82 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 5-5.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide with MolForge

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Related Compounds

N'-benzyl-2-[[2-(diaminomethylideneamino)acetyl]-hydroxyamino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide
CID 123385556
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 66795639
[(2S,3aS,6S,7R,7aR)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,6-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-7-yl]urea
CID 58668976
5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid
CID 43351322
5-amino-2-[[2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 18487270
[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 22280305
5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 58288011
CID 155906115
CID 155906115
2-(3-cyclopentylpropanoylamino)-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pentanediamide
CID 155944628
(2S)-5-amino-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145455067
2-[[2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]acetyl]amino]butanedioic acid
CID 22654616
5-[(2S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 144823454

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide?
The IUPAC name of 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide (CID 163109125) is 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide.
What is the SMILES notation for 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide?
The canonical SMILES for 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide is NC(=O)CCC(NC(=O)CNC(N)=O)C(=O)NCC1OC(c2c[nH]c(=O)[nH]c2=O)C(O)C1O.
What is the InChIKey of 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide?
The InChIKey is GUGMQPOGUDNZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O9/c18-9(25)2-1-7(23-10(26)5-21-16(19)31)15(30)20-4-8-11(27)12(28)13(33-8)6-3-22-17(32)24-14(6)29/h3,7-8,11-13,27-28H,1-2,4-5H2,(H2,18,25)(H,20,30)(H,23,26)(H3,19,21,31)(H2,22,24,29,32).
What are the key properties of 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide?
2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide has a molecular weight of 471.43 g/mol, XLogP of -5.24, 10 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)acetyl]amino]-N-[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentanediamide is sourced from PubChem (CID 163109125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).