2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid

C10H18N2O6 — CID 55002240

IUPAC2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-3-12(5-8(14)18-4-2)10(17)11-7(6-13)9(15)16/h7,13H,3-6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyGYBBPTIIKRYYBT-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.97
Rot. Bonds7

About 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid

2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 55002240) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID55002240
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-3-12(5-8(14)18-4-2)10(17)11-7(6-13)9(15)16/h7,13H,3-6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyGYBBPTIIKRYYBT-UHFFFAOYSA-N
XLogP-0.97
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 62955917
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55006428
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480
3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
CID 82002217
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid
CID 107566625
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168
(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 78971735

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid (CID 55002240) is 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid is CCOC(=O)CN(CC)C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is GYBBPTIIKRYYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-3-12(5-8(14)18-4-2)10(17)11-7(6-13)9(15)16/h7,13H,3-6H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid?
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 262.26 g/mol, XLogP of -0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 55002240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).