hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium

C10H21NO4P+ — CID 87772766

IUPAChydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium
SMILESCC(C)CC(NC(=O)OC(C)(C)C)[P+](=O)O
InChIInChI=1S/C10H20NO4P/c1-7(2)6-8(16(13)14)11-9(12)15-10(3,4)5/h7-8H,6H2,1-5H3,(H-,11,12,13,14)/p+1
InChIKeyIARILRNZIXRAPM-UHFFFAOYSA-O
MW250.25 g/mol
LogP2.62
Rot. Bonds4

About hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium

hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium (PubChem CID 87772766) has the molecular formula C10H21NO4P+ and a molecular weight of 250.25 g/mol. Its IUPAC name is hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium
PubChem CID87772766
Molecular FormulaC10H21NO4P+
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC Namehydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium
SMILESCC(C)CC(NC(=O)OC(C)(C)C)[P+](=O)O
InChIInChI=1S/C10H20NO4P/c1-7(2)6-8(16(13)14)11-9(12)15-10(3,4)5/h7-8H,6H2,1-5H3,(H-,11,12,13,14)/p+1
InChIKeyIARILRNZIXRAPM-UHFFFAOYSA-O
XLogP2.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
(2R)-4-methyl-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentanoic acid
CID 129251365
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
tert-butyl N-[(3S)-5-methylhex-1-yn-3-yl]carbamate
CID 45092127
tert-butyl N-(1-hydroperoxy-4-methylpentan-2-yl)carbamate
CID 23598208
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[(1R)-3-methyl-1-(propan-2-ylcarbamoylamino)butyl]carbamate
CID 139190271
tert-butyl N-[(3R)-5-methyl-1,2-dioxohexan-3-yl]carbamate
CID 10776618

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium?
The IUPAC name of hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium (CID 87772766) is hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium?
The canonical SMILES for hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium is CC(C)CC(NC(=O)OC(C)(C)C)[P+](=O)O.
What is the InChIKey of hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium?
The InChIKey is IARILRNZIXRAPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20NO4P/c1-7(2)6-8(16(13)14)11-9(12)15-10(3,4)5/h7-8H,6H2,1-5H3,(H-,11,12,13,14)/p+1.
What are the key properties of hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium?
hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium has a molecular weight of 250.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxophosphanium is sourced from PubChem (CID 87772766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).