tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

C16H31N3O4 — CID 3108334

IUPACtert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(N)=O
InChIInChI=1S/C16H31N3O4/c1-9(2)8-11(13(17)20)18-14(21)12(10(3)4)19-15(22)23-16(5,6)7/h9-12H,8H2,1-7H3,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyOJRFNXGMICVJAG-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.55
Rot. Bonds7

About tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 3108334) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID3108334
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Nametert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(N)=O
InChIInChI=1S/C16H31N3O4/c1-9(2)8-11(13(17)20)18-14(21)12(10(3)4)19-15(22)23-16(5,6)7/h9-12H,8H2,1-7H3,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyOJRFNXGMICVJAG-UHFFFAOYSA-N
XLogP1.55
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 3108334) is tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is OJRFNXGMICVJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-9(2)8-11(13(17)20)18-14(21)12(10(3)4)19-15(22)23-16(5,6)7/h9-12H,8H2,1-7H3,(H2,17,20)(H,18,21)(H,19,22).
What are the key properties of tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 3108334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).