2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid

C11H20N2O3 — CID 83214083

IUPAC2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
SMILESCC(N)C(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(12)9(14)13-8-5-3-4-6-11(8,2)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGRCYMVRVMQHJFI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds3

About 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid

2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83214083) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
PubChem CID83214083
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
SMILESCC(N)C(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(12)9(14)13-8-5-3-4-6-11(8,2)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGRCYMVRVMQHJFI-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 103930463
2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209774
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide
CID 130942417
2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762630
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 104685502
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214162

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid (CID 83214083) is 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid is CC(N)C(=O)NC1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is GRCYMVRVMQHJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(12)9(14)13-8-5-3-4-6-11(8,2)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid?
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83214083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).