propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate

C13H24N2O4 — CID 11108476

IUPACpropan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate
SMILESCC(=O)C(C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C
InChIInChI=1S/C13H24N2O4/c1-7(2)11(15-13(18)19-8(3)4)12(17)14-9(5)10(6)16/h7-9,11H,1-6H3,(H,14,17)(H,15,18)/t9?,11-/m0/s1
InChIKeyCLKSCDHKFDBUTD-UMJHXOGRSA-N
MW272.34 g/mol
LogP1.24
Rot. Bonds6

About propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate

propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate (PubChem CID 11108476) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate
PubChem CID11108476
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namepropan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate
SMILESCC(=O)C(C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C
InChIInChI=1S/C13H24N2O4/c1-7(2)11(15-13(18)19-8(3)4)12(17)14-9(5)10(6)16/h7-9,11H,1-6H3,(H,14,17)(H,15,18)/t9?,11-/m0/s1
InChIKeyCLKSCDHKFDBUTD-UMJHXOGRSA-N
XLogP1.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]butan-2-yl]carbamate
CID 70956192
2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 145262331
propan-2-yl N-[3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
CID 6914821
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 15215908
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]butanoate
CID 10668248
propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22856211
methyl N-[(2S)-3-methyl-1-(3-methylbutan-2-ylamino)-1-oxobutan-2-yl]carbamate
CID 130457173
(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 14657712
(2S)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 126628742
methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 5191446

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate (CID 11108476) is propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate is CC(=O)C(C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C.
What is the InChIKey of propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is CLKSCDHKFDBUTD-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-7(2)11(15-13(18)19-8(3)4)12(17)14-9(5)10(6)16/h7-9,11H,1-6H3,(H,14,17)(H,15,18)/t9?,11-/m0/s1.
What are the key properties of propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate?
propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 11108476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).