(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide

C22H26N2O6 — CID 10001828

IUPAC(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide
SMILESCC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
InChIInChI=1S/C22H26N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1
InChIKeyUVJNVVPTQWFZMT-ASCMOBCVSA-N
MW414.46 g/mol
LogP1.50
Rot. Bonds8

About (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide

(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide (PubChem CID 10001828) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide
PubChem CID10001828
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide
SMILESCC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
InChIInChI=1S/C22H26N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1
InChIKeyUVJNVVPTQWFZMT-ASCMOBCVSA-N
XLogP1.50
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-pentanoylamino}-4-oxo-butyric acid
CID 9823074
(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(1-naphthyloxy)pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid
CID 16076980
(3S)-5-fluoro-3-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-4-oxopentanoic acid
CID 44346604
(2S)-N-(3-{(2S)-2-[N-(tert-Butyl)carbamoyl]pyrrolidinyl}(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)-3-methyl-2-(2-naphthyloxyacetylamino)butanamide
CID 468986
N-butyl-3-hydroxy-6-methyl-4-[[(2S)-4-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanoyl]amino]heptanamide
CID 44314353
(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[[2-(2-methylnaphthalen-1-yl)oxyacetyl]amino]pentanamide
CID 44331552
(2S)-2-[[2-(2,4-dichloronaphthalen-1-yl)oxyacetyl]amino]-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methylpentanamide
CID 44331565
(2S)-2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methylpentanamide
CID 44331566
(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-2-[[2-(4-methoxynaphthalen-1-yl)oxyacetyl]amino]-4-methylpentanamide
CID 44331567
(2S)-2-[[2-(4-benzylphenoxy)acetyl]amino]-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methylpentanamide
CID 44331578
(2S)-2-[[2-(2-benzylphenoxy)acetyl]amino]-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methylpentanamide
CID 44331579
(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[[2-(4-phenylphenoxy)acetyl]amino]pentanamide
CID 44331580

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide?
The IUPAC name of (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide (CID 10001828) is (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide.
What is the SMILES notation for (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide?
The canonical SMILES for (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide is CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O.
What is the InChIKey of (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide?
The InChIKey is UVJNVVPTQWFZMT-ASCMOBCVSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1.
What are the key properties of (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide?
(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide has a molecular weight of 414.46 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]pentanamide is sourced from PubChem (CID 10001828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).