tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate

C16H30N4O5 — CID 3141771

IUPACtert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C16H30N4O5/c1-7-9(2)12(13(17)22)20-14(23)10(3)19-11(21)8-18-15(24)25-16(4,5)6/h9-10,12H,7-8H2,1-6H3,(H2,17,22)(H,18,24)(H,19,21)(H,20,23)
InChIKeyDQPATYLWJCKMTG-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.03
Rot. Bonds8

About tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 3141771) has the molecular formula C16H30N4O5 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID3141771
Molecular FormulaC16H30N4O5
Molecular Weight358.44 g/mol
Exact Mass358.22
IUPAC Nametert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C16H30N4O5/c1-7-9(2)12(13(17)22)20-14(23)10(3)19-11(21)8-18-15(24)25-16(4,5)6/h9-10,12H,7-8H2,1-6H3,(H2,17,22)(H,18,24)(H,19,21)(H,20,23)
InChIKeyDQPATYLWJCKMTG-UHFFFAOYSA-N
XLogP0.03
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate (CID 3141771) is tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate is CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is DQPATYLWJCKMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O5/c1-7-9(2)12(13(17)22)20-14(23)10(3)19-11(21)8-18-15(24)25-16(4,5)6/h9-10,12H,7-8H2,1-6H3,(H2,17,22)(H,18,24)(H,19,21)(H,20,23).
What are the key properties of tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 3141771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).