methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate

C15H28N2O3 — CID 939585

IUPACmethyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C15H28N2O3/c1-10(2)9-13(14(18)20-4)17-15(19)16-12-8-6-5-7-11(12)3/h10-13H,5-9H2,1-4H3,(H2,16,17,19)/t11-,12-,13-/m0/s1
InChIKeyCRPUFWCTKLWTJJ-AVGNSLFASA-N
MW284.40 g/mol
LogP2.45
Rot. Bonds5

About methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate

methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate (PubChem CID 939585) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
PubChem CID939585
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C15H28N2O3/c1-10(2)9-13(14(18)20-4)17-15(19)16-12-8-6-5-7-11(12)3/h10-13H,5-9H2,1-4H3,(H2,16,17,19)/t11-,12-,13-/m0/s1
InChIKeyCRPUFWCTKLWTJJ-AVGNSLFASA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate with MolForge

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Related Compounds

4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 124715194
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 62360744
methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
CID 103254963
methyl 2-(cyclohexylcarbamothioylamino)-4-methylpentanoate
CID 116507939
methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380
methyl 2-[(2-methylcyclohexyl)amino]butanoate
CID 115279491
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate (CID 939585) is methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate?
The InChIKey is CRPUFWCTKLWTJJ-AVGNSLFASA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)9-13(14(18)20-4)17-15(19)16-12-8-6-5-7-11(12)3/h10-13H,5-9H2,1-4H3,(H2,16,17,19)/t11-,12-,13-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate?
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate has a molecular weight of 284.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate is sourced from PubChem (CID 939585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).