(1-amino-2-methoxyethyl) dihydrogen phosphate

C3H10NO5P — CID 175014739

IUPAC(1-amino-2-methoxyethyl) dihydrogen phosphate
SMILESCOCC(N)OP(=O)(O)O
InChIInChI=1S/C3H10NO5P/c1-8-2-3(4)9-10(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)
InChIKeyKNHDGOIBPYMJTC-UHFFFAOYSA-N
MW171.09 g/mol
LogP-0.97
Rot. Bonds4

About (1-amino-2-methoxyethyl) dihydrogen phosphate

(1-amino-2-methoxyethyl) dihydrogen phosphate (PubChem CID 175014739) has the molecular formula C3H10NO5P and a molecular weight of 171.09 g/mol. Its IUPAC name is (1-amino-2-methoxyethyl) dihydrogen phosphate.

Molecular Properties

Compound Name(1-amino-2-methoxyethyl) dihydrogen phosphate
PubChem CID175014739
Molecular FormulaC3H10NO5P
Molecular Weight171.09 g/mol
Exact Mass171.03
IUPAC Name(1-amino-2-methoxyethyl) dihydrogen phosphate
SMILESCOCC(N)OP(=O)(O)O
InChIInChI=1S/C3H10NO5P/c1-8-2-3(4)9-10(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)
InChIKeyKNHDGOIBPYMJTC-UHFFFAOYSA-N
XLogP-0.97
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1-amino-2-hydroxyethyl) dihydrogen phosphate
CID 139774346
(1-amino-2-iodoethyl) dihydrogen phosphate
CID 134603273
5-methoxypent-1-en-3-yl dihydrogen phosphate
CID 175476467
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate
CID 90329165
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate
CID 21023120
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methoxyethyl) dihydrogen phosphate?
The IUPAC name of (1-amino-2-methoxyethyl) dihydrogen phosphate (CID 175014739) is (1-amino-2-methoxyethyl) dihydrogen phosphate.
What is the SMILES notation for (1-amino-2-methoxyethyl) dihydrogen phosphate?
The canonical SMILES for (1-amino-2-methoxyethyl) dihydrogen phosphate is COCC(N)OP(=O)(O)O.
What is the InChIKey of (1-amino-2-methoxyethyl) dihydrogen phosphate?
The InChIKey is KNHDGOIBPYMJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO5P/c1-8-2-3(4)9-10(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7).
What are the key properties of (1-amino-2-methoxyethyl) dihydrogen phosphate?
(1-amino-2-methoxyethyl) dihydrogen phosphate has a molecular weight of 171.09 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methoxyethyl) dihydrogen phosphate is sourced from PubChem (CID 175014739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).