N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide

C20H37N3O4 — CID 121479323

IUPACN-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)[C@H](C(=O)N(C)[C@H](C(N)=O)[C@@H]1OCC[C@H]1C)C(C)C
InChIInChI=1S/C20H37N3O4/c1-12(2)8-9-15(24)22(6)16(13(3)4)20(26)23(7)17(19(21)25)18-14(5)10-11-27-18/h12-14,16-18H,8-11H2,1-7H3,(H2,21,25)/t14-,16+,17+,18-/m1/s1
InChIKeyCEDGMPNUIXXDPP-LAVFITLUSA-N
MW383.53 g/mol
LogP1.64
Rot. Bonds9

About N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide

N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide (PubChem CID 121479323) has the molecular formula C20H37N3O4 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide
PubChem CID121479323
Molecular FormulaC20H37N3O4
Molecular Weight383.53 g/mol
Exact Mass383.28
IUPAC NameN-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)[C@H](C(=O)N(C)[C@H](C(N)=O)[C@@H]1OCC[C@H]1C)C(C)C
InChIInChI=1S/C20H37N3O4/c1-12(2)8-9-15(24)22(6)16(13(3)4)20(26)23(7)17(19(21)25)18-14(5)10-11-27-18/h12-14,16-18H,8-11H2,1-7H3,(H2,21,25)/t14-,16+,17+,18-/m1/s1
InChIKeyCEDGMPNUIXXDPP-LAVFITLUSA-N
XLogP1.64
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide?
The IUPAC name of N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide (CID 121479323) is N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)[C@H](C(=O)N(C)[C@H](C(N)=O)[C@@H]1OCC[C@H]1C)C(C)C.
What is the InChIKey of N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide?
The InChIKey is CEDGMPNUIXXDPP-LAVFITLUSA-N. The full InChI is InChI=1S/C20H37N3O4/c1-12(2)8-9-15(24)22(6)16(13(3)4)20(26)23(7)17(19(21)25)18-14(5)10-11-27-18/h12-14,16-18H,8-11H2,1-7H3,(H2,21,25)/t14-,16+,17+,18-/m1/s1.
What are the key properties of N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide?
N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide has a molecular weight of 383.53 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide is sourced from PubChem (CID 121479323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).