2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid

C10H20N2O5 — CID 81081493

IUPAC2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
SMILESCCOCCN(C)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-4-17-6-5-12(2)10(15)11-8(7-16-3)9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyDNXBHKLKKGSQNY-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.24
Rot. Bonds8

About 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid

2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid (PubChem CID 81081493) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
PubChem CID81081493
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
SMILESCCOCCN(C)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-4-17-6-5-12(2)10(15)11-8(7-16-3)9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyDNXBHKLKKGSQNY-UHFFFAOYSA-N
XLogP-0.24
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81085766
5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 81057472
2-(3-ethoxypropanoylamino)-3-methoxypropanoic acid
CID 81076376
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 81083904
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
3-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662945
2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-3-methoxypropanoic acid
CID 81084331

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid (CID 81081493) is 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid is CCOCCN(C)C(=O)NC(COC)C(=O)O.
What is the InChIKey of 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The InChIKey is DNXBHKLKKGSQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-4-17-6-5-12(2)10(15)11-8(7-16-3)9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81081493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).