2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid

C24H38NO5P — CID 174884503

IUPAC2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
SMILESCOCP(=O)(NC(C)(C(=O)O)C(C)C)Oc1c([C@H](C)C2CC2)cccc1[C@H](C)C1CC1
InChIInChI=1S/C24H38NO5P/c1-15(2)24(5,23(26)27)25-31(28,14-29-6)30-22-20(16(3)18-10-11-18)8-7-9-21(22)17(4)19-12-13-19/h7-9,15-19H,10-14H2,1-6H3,(H,25,28)(H,26,27)/t16-,17-,24?,31?/m1/s1
InChIKeyYWKSZBYKQJLFDC-DGNSVJKXSA-N
MW451.54 g/mol
LogP5.98
Rot. Bonds12

About 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid

2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid (PubChem CID 174884503) has the molecular formula C24H38NO5P and a molecular weight of 451.54 g/mol. Its IUPAC name is 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
PubChem CID174884503
Molecular FormulaC24H38NO5P
Molecular Weight451.54 g/mol
Exact Mass451.25
IUPAC Name2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
SMILESCOCP(=O)(NC(C)(C(=O)O)C(C)C)Oc1c([C@H](C)C2CC2)cccc1[C@H](C)C1CC1
InChIInChI=1S/C24H38NO5P/c1-15(2)24(5,23(26)27)25-31(28,14-29-6)30-22-20(16(3)18-10-11-18)8-7-9-21(22)17(4)19-12-13-19/h7-9,15-19H,10-14H2,1-6H3,(H,25,28)(H,26,27)/t16-,17-,24?,31?/m1/s1
InChIKeyYWKSZBYKQJLFDC-DGNSVJKXSA-N
XLogP5.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.54
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid 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

(3R)-2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylpentanoic acid
CID 174884539
propan-2-yl (2S)-2-[[[2-butan-2-yl-6-[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324027
2-[[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
CID 174885107
2-[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172758080
2-[[(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxy-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
CID 174884502
ethyl 3-[[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]propanoate
CID 158124555
2-[[[2,6-di(propan-2-yl)phenoxy]-(hydroxymethyl)phosphoryl]amino]-2-methylbutanoic acid
CID 174885101
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] hydrogen carbonate
CID 118899055
(2S)-3-[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 160879806
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene
CID 118911595
2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate
CID 175315690
propan-2-yl (2S)-2-[[[2-[(1R)-1-cyclopropylethyl]-4-[3-[(1R)-1-cyclopropylethyl]-4-hydroxy-5-propan-2-ylphenyl]-6-propan-2-ylphenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130300917

Frequently Asked Questions

What is the IUPAC name of 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid (CID 174884503) is 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid is COCP(=O)(NC(C)(C(=O)O)C(C)C)Oc1c([C@H](C)C2CC2)cccc1[C@H](C)C1CC1.
What is the InChIKey of 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid?
The InChIKey is YWKSZBYKQJLFDC-DGNSVJKXSA-N. The full InChI is InChI=1S/C24H38NO5P/c1-15(2)24(5,23(26)27)25-31(28,14-29-6)30-22-20(16(3)18-10-11-18)8-7-9-21(22)17(4)19-12-13-19/h7-9,15-19H,10-14H2,1-6H3,(H,25,28)(H,26,27)/t16-,17-,24?,31?/m1/s1.
What are the key properties of 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid?
2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid has a molecular weight of 451.54 g/mol, XLogP of 5.98, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 174884503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).