tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate

C15H30N2O4 — CID 103843166

IUPACtert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCOCCC(C)NC1CN(C(=O)OC(C)(C)C)C[C@@H]1OC
InChIInChI=1S/C15H30N2O4/c1-11(7-8-19-5)16-12-9-17(10-13(12)20-6)14(18)21-15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11?,12?,13-/m0/s1
InChIKeyZQNZSGKFVFCDPX-BPCQOVAHSA-N
MW302.41 g/mol
LogP1.64
Rot. Bonds6

About tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate

tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate (PubChem CID 103843166) has the molecular formula C15H30N2O4 and a molecular weight of 302.41 g/mol. Its IUPAC name is tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
PubChem CID103843166
Molecular FormulaC15H30N2O4
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Nametert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCOCCC(C)NC1CN(C(=O)OC(C)(C)C)C[C@@H]1OC
InChIInChI=1S/C15H30N2O4/c1-11(7-8-19-5)16-12-9-17(10-13(12)20-6)14(18)21-15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11?,12?,13-/m0/s1
InChIKeyZQNZSGKFVFCDPX-BPCQOVAHSA-N
XLogP1.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-methoxy-4-(pentan-2-ylamino)pyrrolidine-1-carboxylate
CID 103904510
tert-butyl (4S)-3-(1,1-difluoropropan-2-ylamino)-4-methoxypyrrolidine-1-carboxylate
CID 107244856
tert-butyl (4S)-3-(1-cyclopropylethylamino)-4-methoxypyrrolidine-1-carboxylate
CID 103904518
tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate
CID 98008324
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl (4S)-3-(heptan-3-ylamino)-4-methoxypyrrolidine-1-carboxylate
CID 107244773
tert-butyl (3S)-3-methoxy-4-(2-methylpentylamino)pyrrolidine-1-carboxylate
CID 103923837
tert-butyl (3R,4S)-3-(ethylcarbamoylamino)-4-methoxypyrrolidine-1-carboxylate
CID 167357023
tert-butyl (3S)-3-methoxy-4-[1-(oxolan-3-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103904528
tert-butyl (4S)-3-(cyclopentylamino)-4-methoxypyrrolidine-1-carboxylate
CID 103845392
tert-butyl (4S)-3-[(4-aminocyclohexyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 107244847
tert-butyl (3S)-3-methoxy-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103904519

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate (CID 103843166) is tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate is COCCC(C)NC1CN(C(=O)OC(C)(C)C)C[C@@H]1OC.
What is the InChIKey of tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate?
The InChIKey is ZQNZSGKFVFCDPX-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-11(7-8-19-5)16-12-9-17(10-13(12)20-6)14(18)21-15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11?,12?,13-/m0/s1.
What are the key properties of tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate has a molecular weight of 302.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 103843166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).