2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid

C11H20N2O3 — CID 43465971

IUPAC2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC1CCCCC1NC(=O)CNCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-8-4-2-3-5-9(8)13-10(14)6-12-7-11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyWBIBGCVAIRQXHM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds5

About 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid

2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43465971) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43465971
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC1CCCCC1NC(=O)CNCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-8-4-2-3-5-9(8)13-10(14)6-12-7-11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyWBIBGCVAIRQXHM-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473587
2-(cyclopropylmethylamino)-N-(2-methylcyclopentyl)acetamide
CID 63281463
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)butanamide
CID 47005567
2-(tert-butylamino)-N-(2-methylcyclopentyl)acetamide
CID 78942036
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetic acid
CID 43466149
ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate
CID 60661333
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266
2-(furan-2-ylmethylamino)-N-(2-methylcyclohexyl)acetamide
CID 54773430
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid (CID 43465971) is 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid is CC1CCCCC1NC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is WBIBGCVAIRQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-4-2-3-5-9(8)13-10(14)6-12-7-11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43465971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).