C15H26N2O6 — CID 23435303

IUPAC—
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C15H26N2O6/c1-8(2)11(16-14(22)23-15(3,4)5)12(19)17-7-9(18)6-10(17)13(20)21/h8-11,18H,6-7H2,1-5H3,(H,16,22)(H,20,21)
InChIKeyCBWPZJRJHHYFEE-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.58
Rot. Bonds4

About

(PubChem CID 23435303) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol.

Molecular Properties

Compound Name
PubChem CID23435303
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name—
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C15H26N2O6/c1-8(2)11(16-14(22)23-15(3,4)5)12(19)17-7-9(18)6-10(17)13(20)21/h8-11,18H,6-7H2,1-5H3,(H,16,22)(H,20,21)
InChIKeyCBWPZJRJHHYFEE-UHFFFAOYSA-N
XLogP0.58
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4S)-4-hydroxy-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 69048853
(2R)-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 175477236
(2S)-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 142754245
4-hydroxy-1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-prop-2-enoxyhexanoyl]pyrrolidine-2-carboxylic acid
CID 123370794
(2S,4R)-1-(2-acetamido-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857479
tert-butyl N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10839970
methyl (2S,4S)-4-hydroxy-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 158218697
(2S,4S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidine-2-carboxylic acid
CID 123195717
(4R)-3-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 10830416
tert-butyl N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 67774386
(2S,4S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714914
methyl (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 58593762

Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 23435303) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of ?
The InChIKey is CBWPZJRJHHYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-8(2)11(16-14(22)23-15(3,4)5)12(19)17-7-9(18)6-10(17)13(20)21/h8-11,18H,6-7H2,1-5H3,(H,16,22)(H,20,21).
What are the key properties of ?
has a molecular weight of 330.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 23435303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).