tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate

C15H26N2O5S — CID 95776005

IUPACtert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C15H26N2O5S/c1-15(2,3)22-14(19)16-8-12(10-4-5-10)17-13(18)11-6-7-23(20,21)9-11/h10-12H,4-9H2,1-3H3,(H,16,19)(H,17,18)/t11-,12+/m1/s1
InChIKeyMKDYHDUPAWGUEU-NEPJUHHUSA-N
MW346.45 g/mol
LogP0.84
Rot. Bonds5

About tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate

tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate (PubChem CID 95776005) has the molecular formula C15H26N2O5S and a molecular weight of 346.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate
PubChem CID95776005
Molecular FormulaC15H26N2O5S
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC Nametert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C15H26N2O5S/c1-15(2,3)22-14(19)16-8-12(10-4-5-10)17-13(18)11-6-7-23(20,21)9-11/h10-12H,4-9H2,1-3H3,(H,16,19)(H,17,18)/t11-,12+/m1/s1
InChIKeyMKDYHDUPAWGUEU-NEPJUHHUSA-N
XLogP0.84
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[(2R)-2-cyclopropyl-2-(2-methylpent-2-enoylamino)ethyl]carbamate
CID 164636461
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[(2S)-3-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 95620427
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[(2R)-2-cyclopropyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]ethyl]carbamate
CID 124617896
tert-butyl N-[(2R)-2-cyclopropyl-2-(furan-2-carbonylamino)ethyl]carbamate
CID 95776013
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291
tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
CID 103745471
tert-butyl N-[2-cyclopropyl-2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107251822

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate (CID 95776005) is tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1.
What is the InChIKey of tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate?
The InChIKey is MKDYHDUPAWGUEU-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26N2O5S/c1-15(2,3)22-14(19)16-8-12(10-4-5-10)17-13(18)11-6-7-23(20,21)9-11/h10-12H,4-9H2,1-3H3,(H,16,19)(H,17,18)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 346.45 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 95776005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).