(2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C10H16N4O6 — CID 45107261

IUPAC(2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCC[C@H](N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C5H12N2O2/c8-3-1-2(4(9)10)6-5(11)7-3;6-3-1-2-4(7)5(8)9/h1H,(H,9,10)(H2,6,7,8,11);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1
InChIKeyKXWFMGMEXVNZFJ-VWMHFEHESA-N
MW288.26 g/mol
LogP-2.10
Rot. Bonds5

About (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

(2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 45107261) has the molecular formula C10H16N4O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID45107261
Molecular FormulaC10H16N4O6
Molecular Weight288.26 g/mol
Exact Mass288.11
IUPAC Name(2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCC[C@H](N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C5H12N2O2/c8-3-1-2(4(9)10)6-5(11)7-3;6-3-1-2-4(7)5(8)9/h1H,(H,9,10)(H2,6,7,8,11);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1
InChIKeyKXWFMGMEXVNZFJ-VWMHFEHESA-N
XLogP-2.10
TPSA192.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 5-2.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 45107261) is (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is NCCC[C@H](N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is KXWFMGMEXVNZFJ-VWMHFEHESA-N. The full InChI is InChI=1S/C5H4N2O4.C5H12N2O2/c8-3-1-2(4(9)10)6-5(11)7-3;6-3-1-2-4(7)5(8)9/h1H,(H,9,10)(H2,6,7,8,11);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1.
What are the key properties of (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
(2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of -2.10, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 45107261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).