propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate

C20H34N2O8 — CID 90449531

IUPACpropan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
SMILESCC(C)OC(=O)[C@@H](CO)NC(=O)C1(C(=O)N[C@H](CO)C(=O)OC(C)C)CCCCC1
InChIInChI=1S/C20H34N2O8/c1-12(2)29-16(25)14(10-23)21-18(27)20(8-6-5-7-9-20)19(28)22-15(11-24)17(26)30-13(3)4/h12-15,23-24H,5-11H2,1-4H3,(H,21,27)(H,22,28)/t14-,15-/m1/s1
InChIKeyJZYRXOVUMKGQIP-HUUCEWRRSA-N
MW430.50 g/mol
LogP-0.21
Rot. Bonds10

About propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate

propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate (PubChem CID 90449531) has the molecular formula C20H34N2O8 and a molecular weight of 430.50 g/mol. Its IUPAC name is propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
PubChem CID90449531
Molecular FormulaC20H34N2O8
Molecular Weight430.50 g/mol
Exact Mass430.23
IUPAC Namepropan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
SMILESCC(C)OC(=O)[C@@H](CO)NC(=O)C1(C(=O)N[C@H](CO)C(=O)OC(C)C)CCCCC1
InChIInChI=1S/C20H34N2O8/c1-12(2)29-16(25)14(10-23)21-18(27)20(8-6-5-7-9-20)19(28)22-15(11-24)17(26)30-13(3)4/h12-15,23-24H,5-11H2,1-4H3,(H,21,27)(H,22,28)/t14-,15-/m1/s1
InChIKeyJZYRXOVUMKGQIP-HUUCEWRRSA-N
XLogP-0.21
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-[[1-[[(2R)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]carbamoyl]cyclobutanecarbonyl]amino]-3-hydroxypropanoate
CID 90449537
propan-2-yl 2-acetamido-3-hydroxypropanoate
CID 75094884
1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide
CID 23141188
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-hydroxypropanoate
CID 126679555
propan-2-yl (2S)-2-acetamido-4-hydroxybutanoate
CID 87894989
N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921488
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102
1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide
CID 63836744
methyl (2S)-3-hydroxy-2-[(1-propylcyclopentyl)amino]propanoate
CID 70460776
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate?
The IUPAC name of propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate (CID 90449531) is propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate?
The canonical SMILES for propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate is CC(C)OC(=O)[C@@H](CO)NC(=O)C1(C(=O)N[C@H](CO)C(=O)OC(C)C)CCCCC1.
What is the InChIKey of propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate?
The InChIKey is JZYRXOVUMKGQIP-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H34N2O8/c1-12(2)29-16(25)14(10-23)21-18(27)20(8-6-5-7-9-20)19(28)22-15(11-24)17(26)30-13(3)4/h12-15,23-24H,5-11H2,1-4H3,(H,21,27)(H,22,28)/t14-,15-/m1/s1.
What are the key properties of propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate?
propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate has a molecular weight of 430.50 g/mol, XLogP of -0.21, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate is sourced from PubChem (CID 90449531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).