tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate

C16H32N2O2 — CID 107092651

IUPACtert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate
SMILESCCC(CC)CC(N)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-12(7-2)10-14(17)13-8-9-18(11-13)15(19)20-16(3,4)5/h12-14H,6-11,17H2,1-5H3
InChIKeyDJWJJJAPLMVINO-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.40
Rot. Bonds5

About tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate (PubChem CID 107092651) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate
PubChem CID107092651
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate
SMILESCCC(CC)CC(N)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-12(7-2)10-14(17)13-8-9-18(11-13)15(19)20-16(3,4)5/h12-14H,6-11,17H2,1-5H3
InChIKeyDJWJJJAPLMVINO-UHFFFAOYSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216
tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
CID 107092558
tert-butyl 3-(1-aminononyl)pyrrolidine-1-carboxylate
CID 107092283
tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate
CID 107092458
tert-butyl 3-(1-aminohex-4-ynyl)pyrrolidine-1-carboxylate
CID 107092691
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl (3S)-3-[(2S)-1-amino-1-oxobutan-2-yl]pyrrolidine-1-carboxylate
CID 166105503
(2S)-2-amino-2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 93087503
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 3-(1-amino-2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 82379516

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate (CID 107092651) is tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate is CCC(CC)CC(N)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate?
The InChIKey is DJWJJJAPLMVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-12(7-2)10-14(17)13-8-9-18(11-13)15(19)20-16(3,4)5/h12-14H,6-11,17H2,1-5H3.
What are the key properties of tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).