methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate

C19H29NO4 — CID 52652389

IUPACmethyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C19H29NO4/c1-12(2)10-17(19(22)23-6)20-18(21)14(5)24-16-9-7-8-15(11-16)13(3)4/h7-9,11-14,17H,10H2,1-6H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyGVCYDXIWFGADGL-RHSMWYFYSA-N
MW335.44 g/mol
LogP3.28
Rot. Bonds8

About methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate

methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate (PubChem CID 52652389) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate
PubChem CID52652389
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Namemethyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C19H29NO4/c1-12(2)10-17(19(22)23-6)20-18(21)14(5)24-16-9-7-8-15(11-16)13(3)4/h7-9,11-14,17H,10H2,1-6H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyGVCYDXIWFGADGL-RHSMWYFYSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate with MolForge

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Related Compounds

N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
methyl 2-acetamido-3-(3-propan-2-ylphenoxy)propanoate
CID 65442173
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162
methyl (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-4-methylpentanoate
CID 104898337
methyl 2-[1-(3-methoxyphenyl)ethylamino]-4-methylpentanoate
CID 43689061
methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate
CID 46608421
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
methyl (2S)-2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylpentanoate
CID 7324378
(3R)-3-cyclopropyl-3-[[(2S)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
CID 95778185
(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
CID 95778184
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate (CID 52652389) is methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1.
What is the InChIKey of methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate?
The InChIKey is GVCYDXIWFGADGL-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-12(2)10-17(19(22)23-6)20-18(21)14(5)24-16-9-7-8-15(11-16)13(3)4/h7-9,11-14,17H,10H2,1-6H3,(H,20,21)/t14-,17-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate?
methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate has a molecular weight of 335.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate is sourced from PubChem (CID 52652389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).