3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid

C11H25N2O4P — CID 91605110

IUPAC3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid
SMILESCOP(OCCCNC(=O)O)N(C(C)C)C(C)C
InChIInChI=1S/C11H25N2O4P/c1-9(2)13(10(3)4)18(16-5)17-8-6-7-12-11(14)15/h9-10,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyRJAOKZYIDRRGAC-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.65
Rot. Bonds9

About 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid

3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid (PubChem CID 91605110) has the molecular formula C11H25N2O4P and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid.

Molecular Properties

Compound Name3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid
PubChem CID91605110
Molecular FormulaC11H25N2O4P
Molecular Weight280.31 g/mol
Exact Mass280.16
IUPAC Name3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid
SMILESCOP(OCCCNC(=O)O)N(C(C)C)C(C)C
InChIInChI=1S/C11H25N2O4P/c1-9(2)13(10(3)4)18(16-5)17-8-6-7-12-11(14)15/h9-10,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyRJAOKZYIDRRGAC-UHFFFAOYSA-N
XLogP2.65
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid
CID 91475928
N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
CID 54183086
N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293
N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-2-methylprop-2-enamide
CID 56960783
N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide
CID 89002790
2-bromo-N-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentyl]-2-methylpropanamide
CID 132523788
N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane
CID 158284909
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
9-bicyclo[6.1.0]non-4-ynylmethyl N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]carbamate
CID 122431940
N-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexyl]-N'-[3-ethyl-6-(methylamino)-6-oxohexan-3-yl]pentanediamide
CID 156733354
methyl 2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyacetate
CID 59593926

Frequently Asked Questions

What is the IUPAC name of 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid?
The IUPAC name of 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid (CID 91605110) is 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid.
What is the SMILES notation for 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid?
The canonical SMILES for 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid is COP(OCCCNC(=O)O)N(C(C)C)C(C)C.
What is the InChIKey of 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid?
The InChIKey is RJAOKZYIDRRGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O4P/c1-9(2)13(10(3)4)18(16-5)17-8-6-7-12-11(14)15/h9-10,12H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid?
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid has a molecular weight of 280.31 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid is sourced from PubChem (CID 91605110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).