2-(1-amino-3-methoxycyclohexyl)acetic acid

C9H17NO3 — CID 106874447

IUPAC2-(1-amino-3-methoxycyclohexyl)acetic acid
SMILESCOC1CCCC(N)(CC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-13-7-3-2-4-9(10,5-7)6-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyBODLPFJURPZWJW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.75
Rot. Bonds3

About 2-(1-amino-3-methoxycyclohexyl)acetic acid

2-(1-amino-3-methoxycyclohexyl)acetic acid (PubChem CID 106874447) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(1-amino-3-methoxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-amino-3-methoxycyclohexyl)acetic acid
PubChem CID106874447
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(1-amino-3-methoxycyclohexyl)acetic acid
SMILESCOC1CCCC(N)(CC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-13-7-3-2-4-9(10,5-7)6-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyBODLPFJURPZWJW-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methoxycyclohexyl)acetic acid?
The IUPAC name of 2-(1-amino-3-methoxycyclohexyl)acetic acid (CID 106874447) is 2-(1-amino-3-methoxycyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-amino-3-methoxycyclohexyl)acetic acid?
The canonical SMILES for 2-(1-amino-3-methoxycyclohexyl)acetic acid is COC1CCCC(N)(CC(=O)O)C1.
What is the InChIKey of 2-(1-amino-3-methoxycyclohexyl)acetic acid?
The InChIKey is BODLPFJURPZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-7-3-2-4-9(10,5-7)6-8(11)12/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-(1-amino-3-methoxycyclohexyl)acetic acid?
2-(1-amino-3-methoxycyclohexyl)acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methoxycyclohexyl)acetic acid is sourced from PubChem (CID 106874447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).