2-[2-(pentylcarbamoylamino)ethoxy]acetic acid

C10H20N2O4 — CID 79463025

IUPAC2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
SMILESCCCCCNC(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-2-3-4-5-11-10(15)12-6-7-16-8-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyXQSNVPIMJIPFRT-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.58
Rot. Bonds9

About 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid

2-[2-(pentylcarbamoylamino)ethoxy]acetic acid (PubChem CID 79463025) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
PubChem CID79463025
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
SMILESCCCCCNC(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-2-3-4-5-11-10(15)12-6-7-16-8-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyXQSNVPIMJIPFRT-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
1-dodecyl-3-[7-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptyl]urea
CID 101460044
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
CID 114162551
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
2-octadecoxyacetic acid
CID 4147678
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
1-butyl-3-octylurea
CID 17269600
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
2-(heptylcarbamoylamino)acetic acid
CID 43129060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid (CID 79463025) is 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid is CCCCCNC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is XQSNVPIMJIPFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-3-4-5-11-10(15)12-6-7-16-8-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid?
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 232.28 g/mol, XLogP of 0.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pentylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79463025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).