ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate

C10H18N2O4 — CID 60970355

IUPACethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCC1CCOC1
InChIInChI=1S/C10H18N2O4/c1-2-16-9(13)6-12-10(14)11-5-8-3-4-15-7-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyWLWYAPZMICZLQH-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.11
Rot. Bonds5

About ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate

ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate (PubChem CID 60970355) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate
PubChem CID60970355
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCC1CCOC1
InChIInChI=1S/C10H18N2O4/c1-2-16-9(13)6-12-10(14)11-5-8-3-4-15-7-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyWLWYAPZMICZLQH-UHFFFAOYSA-N
XLogP-0.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-methyl 2-(3-(3-butoxypropyl)ureido)-3-methylbutanoate
CID 664264
ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate
CID 134858148
Methyl N-[(3-butoxypropyl)carbamoyl]valinate
CID 5214417
N-[(Butylamino)carbonyl]glycine, ethyl ester
CID 14885219
Ethyl 2-(isobutylcarbamoylamino)acetate
CID 17174425
Ethyl 2-[(3-methylpyrrolidine-1-carbonyl)amino]acetate
CID 22896681
2-(Butylcarbamoylamino)ethyl 2-methylbutanoate
CID 57895998
2-Methylbutyl 2-(propan-2-ylcarbamoylamino)acetate
CID 57998903
Ethyl 3-[(1-butoxy-1-oxopropan-2-yl)carbamoylamino]-2-methylpropanoate
CID 58929052
Ethyl 2-(oxan-4-ylmethylcarbamoylamino)acetate
CID 62951469
3-Methylbutyl 2-(carbamoylamino)acetate
CID 90702776
Ethyl 2-(butylcarbamoylamino)-3-methylbutanoate
CID 142066836

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate (CID 60970355) is ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCC1CCOC1.
What is the InChIKey of ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate?
The InChIKey is WLWYAPZMICZLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-16-9(13)6-12-10(14)11-5-8-3-4-15-7-8/h8H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate?
ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate has a molecular weight of 230.26 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate is sourced from PubChem (CID 60970355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).