tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate

C16H24N4O4 — CID 166179112

IUPACtert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
SMILESCc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H24N4O4/c1-10-5-8-13(18-9-10)20-14(22)11(6-7-12(17)21)19-15(23)24-16(2,3)4/h5,8-9,11H,6-7H2,1-4H3,(H2,17,21)(H,19,23)(H,18,20,22)/t11-/m0/s1
InChIKeySSZSZQPPFKPABA-NSHDSACASA-N
MW336.39 g/mol
LogP1.49
Rot. Bonds6

About tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate

tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate (PubChem CID 166179112) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
PubChem CID166179112
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nametert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
SMILESCc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H24N4O4/c1-10-5-8-13(18-9-10)20-14(22)11(6-7-12(17)21)19-15(23)24-16(2,3)4/h5,8-9,11H,6-7H2,1-4H3,(H2,17,21)(H,19,23)(H,18,20,22)/t11-/m0/s1
InChIKeySSZSZQPPFKPABA-NSHDSACASA-N
XLogP1.49
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
CID 140914884
tert-butyl N-[1-oxo-1-[[5-[(E)-3-oxobut-1-enyl]-2-pyridinyl]amino]pentan-2-yl]carbamate
CID 69291730
5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanethioic S-acid
CID 175192087
methyl (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 15719230
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate
CID 118017216
tert-butyl N-[(2S)-5-amino-1-(3-bromo-5-chloroanilino)-1,5-dioxopentan-2-yl]carbamate
CID 155189410
(2S)-5-amino-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]-5-oxopentanoic acid
CID 153286593
4-[3-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]phenyl]butanoic acid
CID 155188557
methyl 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]imidazol-1-yl]propanoate
CID 67163051
methyl 2-methyl-2-[4-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]imidazol-1-yl]propanoate
CID 124565539
tert-butyl N-[5-amino-1-[tert-butyl-[2-(2-methylanilino)-1-(4-methylphenyl)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063885
tert-butyl N-[5-amino-1-[ethynyl-[1-(4-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18061313

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate (CID 166179112) is tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate is Cc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate?
The InChIKey is SSZSZQPPFKPABA-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10-5-8-13(18-9-10)20-14(22)11(6-7-12(17)21)19-15(23)24-16(2,3)4/h5,8-9,11H,6-7H2,1-4H3,(H2,17,21)(H,19,23)(H,18,20,22)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate is sourced from PubChem (CID 166179112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).