2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid

C10H19NO3 — CID 10633648

IUPAC2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid
SMILESCO[C@H]1CCCC[C@@]1(CN)CC(=O)O
InChIInChI=1S/C10H19NO3/c1-14-8-4-2-3-5-10(8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10-/m0/s1
InChIKeyGKTZBIMTCLCAFP-WPRPVWTQSA-N
MW201.27 g/mol
LogP1.00
Rot. Bonds4

About 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid

2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid (PubChem CID 10633648) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid
PubChem CID10633648
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid
SMILESCO[C@H]1CCCC[C@@]1(CN)CC(=O)O
InChIInChI=1S/C10H19NO3/c1-14-8-4-2-3-5-10(8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10-/m0/s1
InChIKeyGKTZBIMTCLCAFP-WPRPVWTQSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid?
The IUPAC name of 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid (CID 10633648) is 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid is CO[C@H]1CCCC[C@@]1(CN)CC(=O)O.
What is the InChIKey of 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid?
The InChIKey is GKTZBIMTCLCAFP-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-8-4-2-3-5-10(8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10-/m0/s1.
What are the key properties of 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid?
2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid is sourced from PubChem (CID 10633648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).