tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate

C15H29NO3 — CID 66338142

IUPACtert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
SMILESCC(NCC1(O)CCCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-12(13(17)19-14(2,3)4)16-11-15(18)9-7-5-6-8-10-15/h12,16,18H,5-11H2,1-4H3
InChIKeyCUEHWOPFAJDMDE-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate

tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate (PubChem CID 66338142) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
PubChem CID66338142
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
SMILESCC(NCC1(O)CCCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-12(13(17)19-14(2,3)4)16-11-15(18)9-7-5-6-8-10-15/h12,16,18H,5-11H2,1-4H3
InChIKeyCUEHWOPFAJDMDE-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide
CID 54950879
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
CID 79398493
ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-[2-[(1-hydroxycyclohexyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 113248612
tert-butyl 2-(pent-3-ynylamino)propanoate
CID 116643809
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate?
The IUPAC name of tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate (CID 66338142) is tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate?
The canonical SMILES for tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate is CC(NCC1(O)CCCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate?
The InChIKey is CUEHWOPFAJDMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(13(17)19-14(2,3)4)16-11-15(18)9-7-5-6-8-10-15/h12,16,18H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate?
tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate has a molecular weight of 271.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate is sourced from PubChem (CID 66338142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).