ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate

C11H20N2O3 — CID 43445694

IUPACethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
SMILESCCCN(C(=O)NCC(=O)OCC)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-7-13(9-5-6-9)11(15)12-8-10(14)16-4-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyRXXFFDJDBCKPTE-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds6

About ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate

ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate (PubChem CID 43445694) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
PubChem CID43445694
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
SMILESCCCN(C(=O)NCC(=O)OCC)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-7-13(9-5-6-9)11(15)12-8-10(14)16-4-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyRXXFFDJDBCKPTE-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
CID 54949005
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
1-(4-aminocyclohexyl)-1,3-dipropylurea
CID 79111587
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid
CID 114227148
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 42770878
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate (CID 43445694) is ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate is CCCN(C(=O)NCC(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate?
The InChIKey is RXXFFDJDBCKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7-13(9-5-6-9)11(15)12-8-10(14)16-4-2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate?
ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate is sourced from PubChem (CID 43445694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).