tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate

C13H25NO3 — CID 103249866

IUPACtert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC1CCCCC1O
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(16)8-9-14-10-6-4-5-7-11(10)15/h10-11,14-15H,4-9H2,1-3H3
InChIKeyCHJKTQVNKBQENF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.61
Rot. Bonds4

About tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate

tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate (PubChem CID 103249866) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
PubChem CID103249866
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC1CCCCC1O
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(16)8-9-14-10-6-4-5-7-11(10)15/h10-11,14-15H,4-9H2,1-3H3
InChIKeyCHJKTQVNKBQENF-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
CID 103960953
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
CID 103268828
tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate
CID 114119970
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
CID 130649334
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate (CID 103249866) is tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate is CC(C)(C)OC(=O)CCNC1CCCCC1O.
What is the InChIKey of tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate?
The InChIKey is CHJKTQVNKBQENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)8-9-14-10-6-4-5-7-11(10)15/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate?
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate is sourced from PubChem (CID 103249866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).