2-amino-2-(4-methoxycyclohexyl)acetic acid

C9H17NO3 — CID 4246121

IUPAC2-amino-2-(4-methoxycyclohexyl)acetic acid
SMILESCOC1CCC(C(N)C(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyWKWMOKYDSJYHGK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.60
Rot. Bonds3

About 2-amino-2-(4-methoxycyclohexyl)acetic acid

2-amino-2-(4-methoxycyclohexyl)acetic acid (PubChem CID 4246121) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-amino-2-(4-methoxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-methoxycyclohexyl)acetic acid
PubChem CID4246121
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-amino-2-(4-methoxycyclohexyl)acetic acid
SMILESCOC1CCC(C(N)C(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyWKWMOKYDSJYHGK-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxycyclohexyl)acetic acid?
The IUPAC name of 2-amino-2-(4-methoxycyclohexyl)acetic acid (CID 4246121) is 2-amino-2-(4-methoxycyclohexyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-methoxycyclohexyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-methoxycyclohexyl)acetic acid is COC1CCC(C(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-2-(4-methoxycyclohexyl)acetic acid?
The InChIKey is WKWMOKYDSJYHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-2-(4-methoxycyclohexyl)acetic acid?
2-amino-2-(4-methoxycyclohexyl)acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxycyclohexyl)acetic acid is sourced from PubChem (CID 4246121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).