2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid

C14H25NO3 — CID 63323875

IUPAC2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
SMILESCC(NCC1CCCO1)(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-14(13(16)17,11-6-3-2-4-7-11)15-10-12-8-5-9-18-12/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyZCFIJRDXUHZXRV-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.18
Rot. Bonds5

About 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid

2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid (PubChem CID 63323875) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
PubChem CID63323875
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
SMILESCC(NCC1CCCO1)(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-14(13(16)17,11-6-3-2-4-7-11)15-10-12-8-5-9-18-12/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyZCFIJRDXUHZXRV-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
CID 60990995
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
CID 103974658
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 65377354
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid?
The IUPAC name of 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid (CID 63323875) is 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid?
The canonical SMILES for 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid is CC(NCC1CCCO1)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid?
The InChIKey is ZCFIJRDXUHZXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(13(16)17,11-6-3-2-4-7-11)15-10-12-8-5-9-18-12/h11-12,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid?
2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 63323875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).