bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid

C18H37N2O6P — CID 134535350

IUPACbis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid
SMILESCC(C)[C@H](NP(=O)(O)N[C@H](C(=O)OC(C)(C)C)C(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H37N2O6P/c1-11(2)13(15(21)25-17(5,6)7)19-27(23,24)20-14(12(3)4)16(22)26-18(8,9)10/h11-14H,1-10H3,(H3,19,20,23,24)/t13-,14-/m0/s1
InChIKeyZRFNTRFBUAPRDB-KBPBESRZSA-N
MW408.48 g/mol
LogP3.00
Rot. Bonds8

About bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid

bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid (PubChem CID 134535350) has the molecular formula C18H37N2O6P and a molecular weight of 408.48 g/mol. Its IUPAC name is bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid.

Molecular Properties

Compound Namebis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid
PubChem CID134535350
Molecular FormulaC18H37N2O6P
Molecular Weight408.48 g/mol
Exact Mass408.24
IUPAC Namebis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid
SMILESCC(C)[C@H](NP(=O)(O)N[C@H](C(=O)OC(C)(C)C)C(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H37N2O6P/c1-11(2)13(15(21)25-17(5,6)7)19-27(23,24)20-14(12(3)4)16(22)26-18(8,9)10/h11-14H,1-10H3,(H3,19,20,23,24)/t13-,14-/m0/s1
InChIKeyZRFNTRFBUAPRDB-KBPBESRZSA-N
XLogP3.00
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
tert-butyl (2S)-3-methyl-2-[[[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-phenylmethoxyphosphoryl]amino]butanoate
CID 134535353
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 46900799
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
2-[[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]but-2-enoic acid
CID 173252164
tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
CID 113331477
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 12944652
tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoate;hydrochloride
CID 131713272
tert-butyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 58786092
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
tert-butyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
CID 115539558

Frequently Asked Questions

What is the IUPAC name of bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid?
The IUPAC name of bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid (CID 134535350) is bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid.
What is the SMILES notation for bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid?
The canonical SMILES for bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid is CC(C)[C@H](NP(=O)(O)N[C@H](C(=O)OC(C)(C)C)C(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid?
The InChIKey is ZRFNTRFBUAPRDB-KBPBESRZSA-N. The full InChI is InChI=1S/C18H37N2O6P/c1-11(2)13(15(21)25-17(5,6)7)19-27(23,24)20-14(12(3)4)16(22)26-18(8,9)10/h11-14H,1-10H3,(H3,19,20,23,24)/t13-,14-/m0/s1.
What are the key properties of bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid?
bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid has a molecular weight of 408.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid is sourced from PubChem (CID 134535350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).