methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate

C10H18N2O3 — CID 60914475

IUPACmethyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1(N)CCCCC1
InChIInChI=1S/C10H18N2O3/c1-15-8(13)7-12-9(14)10(11)5-3-2-4-6-10/h2-7,11H2,1H3,(H,12,14)
InChIKeyNTYAWHYSCUCKAZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.06
Rot. Bonds3

About methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate

methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate (PubChem CID 60914475) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate
PubChem CID60914475
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1(N)CCCCC1
InChIInChI=1S/C10H18N2O3/c1-15-8(13)7-12-9(14)10(11)5-3-2-4-6-10/h2-7,11H2,1H3,(H,12,14)
InChIKeyNTYAWHYSCUCKAZ-UHFFFAOYSA-N
XLogP-0.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate (CID 60914475) is methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate is COC(=O)CNC(=O)C1(N)CCCCC1.
What is the InChIKey of methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate?
The InChIKey is NTYAWHYSCUCKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-15-8(13)7-12-9(14)10(11)5-3-2-4-6-10/h2-7,11H2,1H3,(H,12,14).
What are the key properties of methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate?
methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate has a molecular weight of 214.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-aminocyclohexanecarbonyl)amino]acetate is sourced from PubChem (CID 60914475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).