methyl 2-amino-2-(4-methylcyclohexyl)acetate

C10H19NO2 — CID 64747912

IUPACmethyl 2-amino-2-(4-methylcyclohexyl)acetate
SMILESCOC(=O)C(N)C1CCC(C)CC1
InChIInChI=1S/C10H19NO2/c1-7-3-5-8(6-4-7)9(11)10(12)13-2/h7-9H,3-6,11H2,1-2H3
InChIKeyNOEGMFWJFHMZQR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds2

About methyl 2-amino-2-(4-methylcyclohexyl)acetate

methyl 2-amino-2-(4-methylcyclohexyl)acetate (PubChem CID 64747912) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-amino-2-(4-methylcyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-methylcyclohexyl)acetate
PubChem CID64747912
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-amino-2-(4-methylcyclohexyl)acetate
SMILESCOC(=O)C(N)C1CCC(C)CC1
InChIInChI=1S/C10H19NO2/c1-7-3-5-8(6-4-7)9(11)10(12)13-2/h7-9H,3-6,11H2,1-2H3
InChIKeyNOEGMFWJFHMZQR-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2-(4-methylcyclohexyl)propanedioate
CID 103972492
methyl 2-(4-methylcyclohexyl)propanoate
CID 22035514
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
CID 71742057
methyl (2S)-2-amino-2-[4-(1,3-dioxolan-2-yl)cyclohexyl]acetate
CID 34178274
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
CID 4571639
methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
CID 130277693
2-(4-methylcyclohexyl)propanamide
CID 175989942
1-amino-1-cyclopropyl-3-methylbutan-2-one
CID 76751982
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate
CID 95298268

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4-methylcyclohexyl)acetate?
The IUPAC name of methyl 2-amino-2-(4-methylcyclohexyl)acetate (CID 64747912) is methyl 2-amino-2-(4-methylcyclohexyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(4-methylcyclohexyl)acetate?
The canonical SMILES for methyl 2-amino-2-(4-methylcyclohexyl)acetate is COC(=O)C(N)C1CCC(C)CC1.
What is the InChIKey of methyl 2-amino-2-(4-methylcyclohexyl)acetate?
The InChIKey is NOEGMFWJFHMZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-3-5-8(6-4-7)9(11)10(12)13-2/h7-9H,3-6,11H2,1-2H3.
What are the key properties of methyl 2-amino-2-(4-methylcyclohexyl)acetate?
methyl 2-amino-2-(4-methylcyclohexyl)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-methylcyclohexyl)acetate is sourced from PubChem (CID 64747912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).