methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate

C11H20N2O3 — CID 946581

IUPACmethyl (2S)-2-(cyclohexylcarbamoylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(10(14)16-2)12-11(15)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,12,13,15)/t8-/m0/s1
InChIKeyFYNMUXXVCHIBHJ-QMMMGPOBSA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds3

About methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate

methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate (PubChem CID 946581) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(cyclohexylcarbamoylamino)propanoate
PubChem CID946581
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl (2S)-2-(cyclohexylcarbamoylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(10(14)16-2)12-11(15)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,12,13,15)/t8-/m0/s1
InChIKeyFYNMUXXVCHIBHJ-QMMMGPOBSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((Cyclohexylamino)carbonyl)glycine
CID 4149241
Methyl 4-(3-cyclohexylureido)butanoate
CID 11160856
(S)-3-Methyl-2-[3-(2-methyl-cyclohexyl)-ureido]-butyric acid methyl ester
CID 16682427
Methyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoate
CID 12475046
Methyl 3-[(cyclohexylcarbamoyl)amino]propanoate
CID 11020645
Methyl 2-(3-cyclohexylureido)acetate
CID 11053022
Tert-butyl 2-[(cyclohexylcarbamoyl)amino]acetate
CID 11832044
Ethyl 2-(cyclohexylcarbamoylamino)acetate
CID 1756877
N-Cyclohexyl-N'-(2-methoxy-1-methylethyl)urea
CID 4169913
1-Cyclohexyl-3-(2-methoxyethyl)urea
CID 258703
Methyl 2-[(cyclohexylamino)carbonylamino]-3-methylbutanoate
CID 2947013
methyl N-(cyclohexylcarbamoyl)-D-valinate
CID 975273

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate?
The IUPAC name of methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate (CID 946581) is methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate is COC(=O)[C@H](C)NC(=O)NC1CCCCC1.
What is the InChIKey of methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate?
The InChIKey is FYNMUXXVCHIBHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(10(14)16-2)12-11(15)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,12,13,15)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate?
methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate has a molecular weight of 228.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate is sourced from PubChem (CID 946581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).