tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate

C10H19N3O4S — CID 11161731

IUPACtert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N[C@@H](CS)C(N)=O
InChIInChI=1S/C10H19N3O4S/c1-10(2,3)17-9(16)12-4-7(14)13-6(5-18)8(11)15/h6,18H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m0/s1
InChIKeyCBNHDJLOSDALMJ-LURJTMIESA-N
MW277.35 g/mol
LogP-0.59
Rot. Bonds5

About tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 11161731) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID11161731
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Nametert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N[C@@H](CS)C(N)=O
InChIInChI=1S/C10H19N3O4S/c1-10(2,3)17-9(16)12-4-7(14)13-6(5-18)8(11)15/h6,18H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m0/s1
InChIKeyCBNHDJLOSDALMJ-LURJTMIESA-N
XLogP-0.59
TPSA110.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate (CID 11161731) is tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N[C@@H](CS)C(N)=O.
What is the InChIKey of tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is CBNHDJLOSDALMJ-LURJTMIESA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-10(2,3)17-9(16)12-4-7(14)13-6(5-18)8(11)15/h6,18H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 277.35 g/mol, XLogP of -0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 11161731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).