ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate

C10H18N2O4 — CID 103357464

IUPACethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H18N2O4/c1-3-16-8(13)6-11-9(14)12-5-4-10(2,15)7-12/h15H,3-7H2,1-2H3,(H,11,14)
InChIKeyNLAYJCODGSMBCG-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.28
Rot. Bonds3

About ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate

ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate (PubChem CID 103357464) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate
PubChem CID103357464
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H18N2O4/c1-3-16-8(13)6-11-9(14)12-5-4-10(2,15)7-12/h15H,3-7H2,1-2H3,(H,11,14)
InChIKeyNLAYJCODGSMBCG-UHFFFAOYSA-N
XLogP-0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[(3-methylpyrrolidine-1-carbonyl)amino]acetate
CID 22896681
Tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-pyrrolidin-1-ylacetate
CID 22922276
Methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 141023522
Ethyl 2-(pyrrolidinylcarbonylamino)acetate
CID 17174441
2-[(2,2-Dimethylmorpholine-4-carbonyl)amino]acetic acid
CID 43593181
Ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate
CID 60854927
Ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate
CID 60855369
Ethyl 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]acetate
CID 62063819
2-[Ethyl(oxolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 62824378
2-[Methyl(oxolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 62824379
2-[Oxolan-3-ylmethylcarbamoyl(propyl)amino]acetic acid
CID 62824551
3-[(2-Ethoxy-2-oxoethyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate (CID 103357464) is ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCC(C)(O)C1.
What is the InChIKey of ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate?
The InChIKey is NLAYJCODGSMBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-16-8(13)6-11-9(14)12-5-4-10(2,15)7-12/h15H,3-7H2,1-2H3,(H,11,14).
What are the key properties of ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate?
ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate has a molecular weight of 230.26 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 103357464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).