tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate

C14H27NO3 — CID 103249148

IUPACtert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC1(CO)CCCCC1
InChIInChI=1S/C14H27NO3/c1-13(2,3)18-12(17)7-10-15-14(11-16)8-5-4-6-9-14/h15-16H,4-11H2,1-3H3
InChIKeyCGIGDCJBARAGPJ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.00
Rot. Bonds5

About tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate

tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate (PubChem CID 103249148) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
PubChem CID103249148
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC1(CO)CCCCC1
InChIInChI=1S/C14H27NO3/c1-13(2,3)18-12(17)7-10-15-14(11-16)8-5-4-6-9-14/h15-16H,4-11H2,1-3H3
InChIKeyCGIGDCJBARAGPJ-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate
CID 103264791
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
CID 112555055
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 62625547
tert-butyl 3-(methoxyamino)propanoate
CID 10751000
[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol
CID 102977850
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
CID 62522036
[1-(2-ethoxyethylamino)cyclohexyl]methanol
CID 62521886
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]acetate
CID 118461025

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate?
The IUPAC name of tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate (CID 103249148) is tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate?
The canonical SMILES for tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate is CC(C)(C)OC(=O)CCNC1(CO)CCCCC1.
What is the InChIKey of tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate?
The InChIKey is CGIGDCJBARAGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,3)18-12(17)7-10-15-14(11-16)8-5-4-6-9-14/h15-16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate?
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate has a molecular weight of 257.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate is sourced from PubChem (CID 103249148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).