2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid

C14H25NO3 — CID 100638494

IUPAC2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
SMILESCC1CCC(N(CC(=O)O)C[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H25NO3/c1-11-4-6-12(7-5-11)15(10-14(16)17)9-13-3-2-8-18-13/h11-13H,2-10H2,1H3,(H,16,17)/t11?,12?,13-/m0/s1
InChIKeyCOZIPULFYMKZFE-BPCQOVAHSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds5

About 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid

2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid (PubChem CID 100638494) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
PubChem CID100638494
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
SMILESCC1CCC(N(CC(=O)O)C[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H25NO3/c1-11-4-6-12(7-5-11)15(10-14(16)17)9-13-3-2-8-18-13/h11-13H,2-10H2,1H3,(H,16,17)/t11?,12?,13-/m0/s1
InChIKeyCOZIPULFYMKZFE-BPCQOVAHSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid (CID 100638494) is 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid is CC1CCC(N(CC(=O)O)C[C@@H]2CCCO2)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid?
The InChIKey is COZIPULFYMKZFE-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-4-6-12(7-5-11)15(10-14(16)17)9-13-3-2-8-18-13/h11-13H,2-10H2,1H3,(H,16,17)/t11?,12?,13-/m0/s1.
What are the key properties of 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid?
2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 100638494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).