tert-butyl 5-(methylamino)pentanoate

C10H21NO2 — CID 91587452

IUPACtert-butyl 5-(methylamino)pentanoate
SMILESCNCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-6-8-11-4/h11H,5-8H2,1-4H3
InChIKeyHCYVRVRXZSYAPN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds5

About tert-butyl 5-(methylamino)pentanoate

tert-butyl 5-(methylamino)pentanoate (PubChem CID 91587452) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl 5-(methylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl 5-(methylamino)pentanoate
PubChem CID91587452
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl 5-(methylamino)pentanoate
SMILESCNCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-6-8-11-4/h11H,5-8H2,1-4H3
InChIKeyHCYVRVRXZSYAPN-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 2-(piperidin-4-yl)acetate
CID 23511620
Tert-butyl 5-aminopentanoate hydrochloride
CID 71757718
Methyl 5-(methylamino)pentanoate hydrochloride
CID 77231266
Tert-butyl 2-(piperidin-4-yl)acetate hydrochloride
CID 137951715
Tert-butyl 5-(methylamino)pentanoate hydrochloride
CID 138987452
Tert-butyl 5-[(2-iodoacetyl)amino]pentanoate
CID 85907523
Tert-butyl 6-(methylamino)hexanoate hydrochloride
CID 165890393
Tert-butyl 5-aminopentanoate
CID 10607312
Tert-butyl 6-(methylamino)hexanoate
CID 59523595
Methyl 5-(methylamino)pentanoate
CID 77231265
ethyl (4R)-4-fluoro-5-(propylamino)pentanoate
CID 134297721
Tert-butyl 3-(azetidin-3-yl)-2-fluoropropanoate
CID 165891676

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(methylamino)pentanoate?
The IUPAC name of tert-butyl 5-(methylamino)pentanoate (CID 91587452) is tert-butyl 5-(methylamino)pentanoate.
What is the SMILES notation for tert-butyl 5-(methylamino)pentanoate?
The canonical SMILES for tert-butyl 5-(methylamino)pentanoate is CNCCCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-(methylamino)pentanoate?
The InChIKey is HCYVRVRXZSYAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-6-8-11-4/h11H,5-8H2,1-4H3.
What are the key properties of tert-butyl 5-(methylamino)pentanoate?
tert-butyl 5-(methylamino)pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(methylamino)pentanoate is sourced from PubChem (CID 91587452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).