2-(2-propoxyethylcarbamoylamino)acetic acid

C8H16N2O4 — CID 106450957

IUPAC2-(2-propoxyethylcarbamoylamino)acetic acid
SMILESCCCOCCNC(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-4-14-5-3-9-8(13)10-6-7(11)12/h2-6H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyQZJIULKZRDJIRZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.20
Rot. Bonds7

About 2-(2-propoxyethylcarbamoylamino)acetic acid

2-(2-propoxyethylcarbamoylamino)acetic acid (PubChem CID 106450957) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(2-propoxyethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(2-propoxyethylcarbamoylamino)acetic acid
PubChem CID106450957
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-(2-propoxyethylcarbamoylamino)acetic acid
SMILESCCCOCCNC(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-4-14-5-3-9-8(13)10-6-7(11)12/h2-6H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyQZJIULKZRDJIRZ-UHFFFAOYSA-N
XLogP-0.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.20
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-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
CID 82943515
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 61492672
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
methane;propane;N-[4-(2-propoxyethylcarbamoylamino)butyl]acetamide;1-propoxypropane
CID 142400891
2-[[2-(2-but-3-enoxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 106404893
2-(heptylcarbamoylamino)acetic acid
CID 43129060
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 83204241
3-methyl-2-(2-propoxyethylcarbamoylamino)butanoic acid
CID 106450974
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethylcarbamoylamino)acetic acid?
The IUPAC name of 2-(2-propoxyethylcarbamoylamino)acetic acid (CID 106450957) is 2-(2-propoxyethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(2-propoxyethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(2-propoxyethylcarbamoylamino)acetic acid is CCCOCCNC(=O)NCC(=O)O.
What is the InChIKey of 2-(2-propoxyethylcarbamoylamino)acetic acid?
The InChIKey is QZJIULKZRDJIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-2-4-14-5-3-9-8(13)10-6-7(11)12/h2-6H2,1H3,(H,11,12)(H2,9,10,13).
What are the key properties of 2-(2-propoxyethylcarbamoylamino)acetic acid?
2-(2-propoxyethylcarbamoylamino)acetic acid has a molecular weight of 204.23 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethylcarbamoylamino)acetic acid is sourced from PubChem (CID 106450957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).