ethyl 2-(cyclohexylcarbamoylamino)propanoate

C12H22N2O3 — CID 54959999

IUPACethyl 2-(cyclohexylcarbamoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-3-17-11(15)9(2)13-12(16)14-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyXVHCGQRRIBWQAF-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.57
Rot. Bonds4

About ethyl 2-(cyclohexylcarbamoylamino)propanoate

ethyl 2-(cyclohexylcarbamoylamino)propanoate (PubChem CID 54959999) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-(cyclohexylcarbamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylcarbamoylamino)propanoate
PubChem CID54959999
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-(cyclohexylcarbamoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-3-17-11(15)9(2)13-12(16)14-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyXVHCGQRRIBWQAF-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate
CID 44614601
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
2-(cyclohexylcarbamoylamino)-N-propylpropanamide
CID 47112302
2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide
CID 115585935
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
CID 104892208
methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
CID 4571639
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
N-cyclohexyl-2-ethoxypropanamide
CID 137320539
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498803

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylcarbamoylamino)propanoate?
The IUPAC name of ethyl 2-(cyclohexylcarbamoylamino)propanoate (CID 54959999) is ethyl 2-(cyclohexylcarbamoylamino)propanoate.
What is the SMILES notation for ethyl 2-(cyclohexylcarbamoylamino)propanoate?
The canonical SMILES for ethyl 2-(cyclohexylcarbamoylamino)propanoate is CCOC(=O)C(C)NC(=O)NC1CCCCC1.
What is the InChIKey of ethyl 2-(cyclohexylcarbamoylamino)propanoate?
The InChIKey is XVHCGQRRIBWQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-11(15)9(2)13-12(16)14-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,14,16).
What are the key properties of ethyl 2-(cyclohexylcarbamoylamino)propanoate?
ethyl 2-(cyclohexylcarbamoylamino)propanoate has a molecular weight of 242.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylcarbamoylamino)propanoate is sourced from PubChem (CID 54959999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).