potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid

C18H27KN2O5 — CID 173234898

IUPACpotassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid
SMILESCc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)O.[H-].[K+]
InChIInChI=1S/C18H26N2O5.K.H/c1-11(2)9-14(17(22)19-13(4)18(23)24)20-16(21)10-25-15-8-6-5-7-12(15)3;;/h5-8,11,13-14H,9-10H2,1-4H3,(H,19,22)(H,20,21)(H,23,24);;/q;+1;-1/t13?,14-;;/m0../s1
InChIKeyNBEOJBYZRVYZMN-HNYZGNTBSA-N
MW390.52 g/mol
LogP-1.39
Rot. Bonds9

About potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid

potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid (PubChem CID 173234898) has the molecular formula C18H27KN2O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid.

Molecular Properties

Compound Namepotassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid
PubChem CID173234898
Molecular FormulaC18H27KN2O5
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC Namepotassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid
SMILESCc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)O.[H-].[K+]
InChIInChI=1S/C18H26N2O5.K.H/c1-11(2)9-14(17(22)19-13(4)18(23)24)20-16(21)10-25-15-8-6-5-7-12(15)3;;/h5-8,11,13-14H,9-10H2,1-4H3,(H,19,22)(H,20,21)(H,23,24);;/q;+1;-1/t13?,14-;;/m0../s1
InChIKeyNBEOJBYZRVYZMN-HNYZGNTBSA-N
XLogP-1.39
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-4-hydroxy-2-[[2-(2-methylphenoxy)acetyl]amino]butanoic acid
CID 114004863
2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]-2-phenylpropanoic acid
CID 70005211
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide
CID 51673879
(2S)-N-(2-hydroxyethyl)-4-methyl-2-[4-(2-methylphenoxy)butanoylamino]pentanamide
CID 86779814
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
(2S)-2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]-3-[4-[4-[(2-phenylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid
CID 56994574
(2R)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanamide
CID 137051359
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357623

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid?
The IUPAC name of potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid (CID 173234898) is potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid.
What is the SMILES notation for potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid?
The canonical SMILES for potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid is Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid?
The InChIKey is NBEOJBYZRVYZMN-HNYZGNTBSA-N. The full InChI is InChI=1S/C18H26N2O5.K.H/c1-11(2)9-14(17(22)19-13(4)18(23)24)20-16(21)10-25-15-8-6-5-7-12(15)3;;/h5-8,11,13-14H,9-10H2,1-4H3,(H,19,22)(H,20,21)(H,23,24);;/q;+1;-1/t13?,14-;;/m0../s1.
What are the key properties of potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid?
potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid has a molecular weight of 390.52 g/mol, XLogP of -1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid is sourced from PubChem (CID 173234898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).