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

C14H27N3O4 — CID 3103034

IUPACtert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C)C(N)=O
InChIInChI=1S/C14H27N3O4/c1-7-8(2)10(12(19)16-9(3)11(15)18)17-13(20)21-14(4,5)6/h8-10H,7H2,1-6H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyOXKVPIHNMCQPAF-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.92
Rot. Bonds6

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

tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 3103034) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID3103034
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nametert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C)C(N)=O
InChIInChI=1S/C14H27N3O4/c1-7-8(2)10(12(19)16-9(3)11(15)18)17-13(20)21-14(4,5)6/h8-10H,7H2,1-6H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyOXKVPIHNMCQPAF-UHFFFAOYSA-N
XLogP0.92
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.92
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-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate (CID 3103034) is tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate is CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C)C(N)=O.
What is the InChIKey of tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is OXKVPIHNMCQPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-7-8(2)10(12(19)16-9(3)11(15)18)17-13(20)21-14(4,5)6/h8-10H,7H2,1-6H3,(H2,15,18)(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 301.39 g/mol, XLogP of 0.92, 6 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-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 3103034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).