methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate

C18H28N2O4 — CID 129392250

IUPACmethyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate
SMILESCOC(=O)[C@@H]([C@@H](O)c1cccnc1NC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-17(2,3)12(15(22)24-7)13(21)11-9-8-10-19-14(11)20-16(23)18(4,5)6/h8-10,12-13,21H,1-7H3,(H,19,20,23)/t12-,13+/m1/s1
InChIKeyDGIYYUOEQOEIQW-OLZOCXBDSA-N
MW336.43 g/mol
LogP2.93
Rot. Bonds4

About methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate

methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate (PubChem CID 129392250) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate
PubChem CID129392250
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namemethyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate
SMILESCOC(=O)[C@@H]([C@@H](O)c1cccnc1NC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-17(2,3)12(15(22)24-7)13(21)11-9-8-10-19-14(11)20-16(23)18(4,5)6/h8-10,12-13,21H,1-7H3,(H,19,20,23)/t12-,13+/m1/s1
InChIKeyDGIYYUOEQOEIQW-OLZOCXBDSA-N
XLogP2.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate 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

tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate
CID 59731884
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
CID 89491536
CID 89491536
2,2-dimethyl-N-(3-trimethylsilyl-2-pyridinyl)propanamide
CID 15914609
1-methoxy-3-(3-propan-2-yl-2-pyridinyl)urea
CID 134178395
ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 125458773
2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide
CID 13154241
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide
CID 70212263
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate?
The IUPAC name of methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate (CID 129392250) is methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate.
What is the SMILES notation for methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate?
The canonical SMILES for methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate is COC(=O)[C@@H]([C@@H](O)c1cccnc1NC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate?
The InChIKey is DGIYYUOEQOEIQW-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-17(2,3)12(15(22)24-7)13(21)11-9-8-10-19-14(11)20-16(23)18(4,5)6/h8-10,12-13,21H,1-7H3,(H,19,20,23)/t12-,13+/m1/s1.
What are the key properties of methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate?
methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate has a molecular weight of 336.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate is sourced from PubChem (CID 129392250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).