2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid

C10H18N2O5 — CID 62686785

IUPAC2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
SMILESCCCOCCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-4-17-5-3-8(13)11-6-9(14)12-7-10(15)16/h2-7H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyOZGOTLCBBQWBOO-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.88
Rot. Bonds9

About 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid

2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid (PubChem CID 62686785) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
PubChem CID62686785
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
SMILESCCCOCCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-4-17-5-3-8(13)11-6-9(14)12-7-10(15)16/h2-7H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyOZGOTLCBBQWBOO-UHFFFAOYSA-N
XLogP-0.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
CID 82943515
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane
CID 172598015
ethane;3-propoxy-N-propylpropanamide
CID 163269237
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
CID 143180051
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
7-(3-propoxypropanoylamino)heptanoic acid
CID 62688600
3-(3-propoxypropanoylamino)butanoic acid
CID 62686783
2-(2-propoxyethylcarbamoylamino)acetic acid
CID 106450957

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid (CID 62686785) is 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid is CCCOCCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid?
The InChIKey is OZGOTLCBBQWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-4-17-5-3-8(13)11-6-9(14)12-7-10(15)16/h2-7H2,1H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid?
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid has a molecular weight of 246.26 g/mol, XLogP of -0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 62686785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).