2-(pentylcarbamoylamino)pentanedioic acid

C11H20N2O5 — CID 61183421

IUPAC2-(pentylcarbamoylamino)pentanedioic acid
SMILESCCCCCNC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-3-4-7-12-11(18)13-8(10(16)17)5-6-9(14)15/h8H,2-7H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeyYHWKOHBQLJSYGS-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.79
Rot. Bonds9

About 2-(pentylcarbamoylamino)pentanedioic acid

2-(pentylcarbamoylamino)pentanedioic acid (PubChem CID 61183421) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(pentylcarbamoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(pentylcarbamoylamino)pentanedioic acid
PubChem CID61183421
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-(pentylcarbamoylamino)pentanedioic acid
SMILESCCCCCNC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-3-4-7-12-11(18)13-8(10(16)17)5-6-9(14)15/h8H,2-7H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeyYHWKOHBQLJSYGS-UHFFFAOYSA-N
XLogP0.79
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-methoxy-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2S)-2-(3-propoxypropylcarbamoylamino)pentanedioic acid
CID 82944278
(2S)-2-[[(1S)-1-carboxy-5-(nonanoylamino)pentyl]carbamoylamino]pentanedioic acid
CID 134388434
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-2-[[(1S)-1-carboxy-5-(propanoylamino)pentyl]carbamoylamino]pentanedioic acid
CID 118400178
2-(3-methylsulfanylpropylcarbamoylamino)pentanedioic acid
CID 63958361
2-[(5-amino-5-oxopentyl)carbamoylamino]hexanoic acid
CID 106239123
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145

Frequently Asked Questions

What is the IUPAC name of 2-(pentylcarbamoylamino)pentanedioic acid?
The IUPAC name of 2-(pentylcarbamoylamino)pentanedioic acid (CID 61183421) is 2-(pentylcarbamoylamino)pentanedioic acid.
What is the SMILES notation for 2-(pentylcarbamoylamino)pentanedioic acid?
The canonical SMILES for 2-(pentylcarbamoylamino)pentanedioic acid is CCCCCNC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(pentylcarbamoylamino)pentanedioic acid?
The InChIKey is YHWKOHBQLJSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-3-4-7-12-11(18)13-8(10(16)17)5-6-9(14)15/h8H,2-7H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18).
What are the key properties of 2-(pentylcarbamoylamino)pentanedioic acid?
2-(pentylcarbamoylamino)pentanedioic acid has a molecular weight of 260.29 g/mol, XLogP of 0.79, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylcarbamoylamino)pentanedioic acid is sourced from PubChem (CID 61183421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).