6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

C12H17N3O4 — CID 43170021

IUPAC6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c16-10(9-15-8-4-7-14-12(15)19)13-6-3-1-2-5-11(17)18/h4,7-8H,1-3,5-6,9H2,(H,13,16)(H,17,18)
InChIKeyWABLMQXPNCQQTC-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.00
Rot. Bonds8

About 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 43170021) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID43170021
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c16-10(9-15-8-4-7-14-12(15)19)13-6-3-1-2-5-11(17)18/h4,7-8H,1-3,5-6,9H2,(H,13,16)(H,17,18)
InChIKeyWABLMQXPNCQQTC-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Aminoethyllysine-carbonylmethylene-cytosine
CID 5287874
(2S)-6-amino-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 91610677
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356432
7-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
CID 43358962
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360222
Methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate
CID 43431761
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43469694
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43630438
(2S)-4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136658
(2S,3S)-3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136812

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (CID 43170021) is 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cn1cccnc1=O.
What is the InChIKey of 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is WABLMQXPNCQQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-10(9-15-8-4-7-14-12(15)19)13-6-3-1-2-5-11(17)18/h4,7-8H,1-3,5-6,9H2,(H,13,16)(H,17,18).
What are the key properties of 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43170021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).