(1-amino-1-oxohexan-2-yl) dihydrogen phosphate

C6H14NO5P — CID 141187806

IUPAC(1-amino-1-oxohexan-2-yl) dihydrogen phosphate
SMILESCCCCC(OP(=O)(O)O)C(N)=O
InChIInChI=1S/C6H14NO5P/c1-2-3-4-5(6(7)8)12-13(9,10)11/h5H,2-4H2,1H3,(H2,7,8)(H2,9,10,11)
InChIKeyONVXQSGNWWFFEG-UHFFFAOYSA-N
MW211.15 g/mol
LogP0.14
Rot. Bonds6

About (1-amino-1-oxohexan-2-yl) dihydrogen phosphate

(1-amino-1-oxohexan-2-yl) dihydrogen phosphate (PubChem CID 141187806) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is (1-amino-1-oxohexan-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(1-amino-1-oxohexan-2-yl) dihydrogen phosphate
PubChem CID141187806
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name(1-amino-1-oxohexan-2-yl) dihydrogen phosphate
SMILESCCCCC(OP(=O)(O)O)C(N)=O
InChIInChI=1S/C6H14NO5P/c1-2-3-4-5(6(7)8)12-13(9,10)11/h5H,2-4H2,1H3,(H2,7,8)(H2,9,10,11)
InChIKeyONVXQSGNWWFFEG-UHFFFAOYSA-N
XLogP0.14
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phosphonooxyoctadecanedithioic acid
CID 87857432
azane;decan-5-yl dihydrogen phosphate
CID 88685768
azane;6-butyldecan-5-yl dihydrogen phosphate
CID 88652298
2,2-dimethylheptan-3-yl dihydrogen phosphate
CID 151613956
2-ethoxyoctanamide
CID 174492663
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
2-butylpropanediamide
CID 2317243
(1-ethoxy-1-oxohexan-2-yl)phosphonic acid
CID 57168391
2-methylhexanamide
CID 2828737
heptan-4-yl dihydrogen phosphate
CID 18763997
ethenyl(octan-4-yloxy)phosphinic acid
CID 88822160

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxohexan-2-yl) dihydrogen phosphate?
The IUPAC name of (1-amino-1-oxohexan-2-yl) dihydrogen phosphate (CID 141187806) is (1-amino-1-oxohexan-2-yl) dihydrogen phosphate.
What is the SMILES notation for (1-amino-1-oxohexan-2-yl) dihydrogen phosphate?
The canonical SMILES for (1-amino-1-oxohexan-2-yl) dihydrogen phosphate is CCCCC(OP(=O)(O)O)C(N)=O.
What is the InChIKey of (1-amino-1-oxohexan-2-yl) dihydrogen phosphate?
The InChIKey is ONVXQSGNWWFFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-2-3-4-5(6(7)8)12-13(9,10)11/h5H,2-4H2,1H3,(H2,7,8)(H2,9,10,11).
What are the key properties of (1-amino-1-oxohexan-2-yl) dihydrogen phosphate?
(1-amino-1-oxohexan-2-yl) dihydrogen phosphate has a molecular weight of 211.15 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxohexan-2-yl) dihydrogen phosphate is sourced from PubChem (CID 141187806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).