5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide

C14H22N6O6 — CID 175242718

IUPAC5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESCC(=O)Nc1ccnc(=O)[nH]1.CC(N)C(=O)NC(CCC(=O)O)C(N)=O
InChIInChI=1S/C8H15N3O4.C6H7N3O2/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13;1-4(10)8-5-2-3-7-6(11)9-5/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13);2-3H,1H3,(H2,7,8,9,10,11)
InChIKeyFTHNLWDHKAYQMN-UHFFFAOYSA-N
MW370.37 g/mol
LogP-2.10
Rot. Bonds7

About 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide

5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 175242718) has the molecular formula C14H22N6O6 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide
PubChem CID175242718
Molecular FormulaC14H22N6O6
Molecular Weight370.37 g/mol
Exact Mass370.16
IUPAC Name5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESCC(=O)Nc1ccnc(=O)[nH]1.CC(N)C(=O)NC(CCC(=O)O)C(N)=O
InChIInChI=1S/C8H15N3O4.C6H7N3O2/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13;1-4(10)8-5-2-3-7-6(11)9-5/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13);2-3H,1H3,(H2,7,8,9,10,11)
InChIKeyFTHNLWDHKAYQMN-UHFFFAOYSA-N
XLogP-2.10
TPSA210.36 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 5-2.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide (CID 175242718) is 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide is CC(=O)Nc1ccnc(=O)[nH]1.CC(N)C(=O)NC(CCC(=O)O)C(N)=O.
What is the InChIKey of 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is FTHNLWDHKAYQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4.C6H7N3O2/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13;1-4(10)8-5-2-3-7-6(11)9-5/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13);2-3H,1H3,(H2,7,8,9,10,11).
What are the key properties of 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 370.37 g/mol, XLogP of -2.10, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 175242718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).