5-carbamoyloxy-5-oxopentanoic acid

C6H9NO5 — CID 175080564

IUPAC5-carbamoyloxy-5-oxopentanoic acid
SMILESNC(=O)OC(=O)CCCC(=O)O
InChIInChI=1S/C6H9NO5/c7-6(11)12-5(10)3-1-2-4(8)9/h1-3H2,(H2,7,11)(H,8,9)
InChIKeyUYLVCFQQPAOSQG-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.14
Rot. Bonds4

About 5-carbamoyloxy-5-oxopentanoic acid

5-carbamoyloxy-5-oxopentanoic acid (PubChem CID 175080564) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 5-carbamoyloxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-carbamoyloxy-5-oxopentanoic acid
PubChem CID175080564
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name5-carbamoyloxy-5-oxopentanoic acid
SMILESNC(=O)OC(=O)CCCC(=O)O
InChIInChI=1S/C6H9NO5/c7-6(11)12-5(10)3-1-2-4(8)9/h1-3H2,(H2,7,11)(H,8,9)
InChIKeyUYLVCFQQPAOSQG-UHFFFAOYSA-N
XLogP-0.14
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
bis(4-[8-(3-carboxypropanoyloxy)-8-oxooctanoyl]oxy-4-oxobutanoic acid);pentanedioic acid
CID 174936379
9-[2-(8-carboxyoctanoyloxy)-2-oxoacetyl]oxy-9-oxononanoic acid
CID 175494360
5-(carbamoylamino)oxy-5-oxopentanoic acid
CID 175122695
9-(2-aminoacetyl)oxy-9-oxononanoic acid
CID 174767814
10-(9-carboxynonanoyloxy)-10-oxodecanoic acid;ethane-1,2-diol
CID 175232366
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyloxy-5-oxopentanoic acid?
The IUPAC name of 5-carbamoyloxy-5-oxopentanoic acid (CID 175080564) is 5-carbamoyloxy-5-oxopentanoic acid.
What is the SMILES notation for 5-carbamoyloxy-5-oxopentanoic acid?
The canonical SMILES for 5-carbamoyloxy-5-oxopentanoic acid is NC(=O)OC(=O)CCCC(=O)O.
What is the InChIKey of 5-carbamoyloxy-5-oxopentanoic acid?
The InChIKey is UYLVCFQQPAOSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c7-6(11)12-5(10)3-1-2-4(8)9/h1-3H2,(H2,7,11)(H,8,9).
What are the key properties of 5-carbamoyloxy-5-oxopentanoic acid?
5-carbamoyloxy-5-oxopentanoic acid has a molecular weight of 175.14 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyloxy-5-oxopentanoic acid is sourced from PubChem (CID 175080564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).