3-amino-3-cyclohexyl-2-(methylamino)propanoic acid

C10H20N2O2 — CID 116946961

IUPAC3-amino-3-cyclohexyl-2-(methylamino)propanoic acid
SMILESCNC(C(=O)O)C(N)C1CCCCC1
InChIInChI=1S/C10H20N2O2/c1-12-9(10(13)14)8(11)7-5-3-2-4-6-7/h7-9,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyCUMPPGXHPWGPSH-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.57
Rot. Bonds4

About 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid

3-amino-3-cyclohexyl-2-(methylamino)propanoic acid (PubChem CID 116946961) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-amino-3-cyclohexyl-2-(methylamino)propanoic acid
PubChem CID116946961
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-3-cyclohexyl-2-(methylamino)propanoic acid
SMILESCNC(C(=O)O)C(N)C1CCCCC1
InChIInChI=1S/C10H20N2O2/c1-12-9(10(13)14)8(11)7-5-3-2-4-6-7/h7-9,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyCUMPPGXHPWGPSH-UHFFFAOYSA-N
XLogP0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1,3-diamino-1,3-dicyclohexylpropan-2-ol
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1-cyclohexylpropane-1,2-diamine
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2-[amino(cyclopentyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174534601
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338
1-amino-1-cycloheptylpropan-2-one
CID 54549167
1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carboxylic acid
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CID 103973424
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid?
The IUPAC name of 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid (CID 116946961) is 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid?
The canonical SMILES for 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid is CNC(C(=O)O)C(N)C1CCCCC1.
What is the InChIKey of 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid?
The InChIKey is CUMPPGXHPWGPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12-9(10(13)14)8(11)7-5-3-2-4-6-7/h7-9,12H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid?
3-amino-3-cyclohexyl-2-(methylamino)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclohexyl-2-(methylamino)propanoic acid is sourced from PubChem (CID 116946961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).