2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid

C5H15N2O7P — CID 170987656

IUPAC2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid
SMILESNCCOP(=O)(O)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C3H7NO3.C2H8NO4P/c4-2(1-5)3(6)7;3-1-2-7-8(4,5)6/h2,5H,1,4H2,(H,6,7);1-3H2,(H2,4,5,6)/t2-;/m0./s1
InChIKeyYIVFTXXYFNXDHP-DKWTVANSSA-N
MW246.16 g/mol
LogP-2.56
Rot. Bonds5

About 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid

2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid (PubChem CID 170987656) has the molecular formula C5H15N2O7P and a molecular weight of 246.16 g/mol. Its IUPAC name is 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid
PubChem CID170987656
Molecular FormulaC5H15N2O7P
Molecular Weight246.16 g/mol
Exact Mass246.06
IUPAC Name2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid
SMILESNCCOP(=O)(O)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C3H7NO3.C2H8NO4P/c4-2(1-5)3(6)7;3-1-2-7-8(4,5)6/h2,5H,1,4H2,(H,6,7);1-3H2,(H2,4,5,6)/t2-;/m0./s1
InChIKeyYIVFTXXYFNXDHP-DKWTVANSSA-N
XLogP-2.56
TPSA176.33 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.16
LogP ≤ 5-2.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate
CID 138397398
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
CID 139211800
CID 174640608
CID 174640608
(2S)-2-amino-4-hydroxybutanoic acid;(2S)-2-amino-4-phosphonooxybutanoic acid;methane
CID 164952984
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
(2S)-2-amino-3-phosphonooxypropanoic acid;propane-1,2,3-triol
CID 160724089
CID 157089134
CID 157089134
(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid
CID 87229124
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid?
The IUPAC name of 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid (CID 170987656) is 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid.
What is the SMILES notation for 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid?
The canonical SMILES for 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid is NCCOP(=O)(O)O.N[C@@H](CO)C(=O)O.
What is the InChIKey of 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid?
The InChIKey is YIVFTXXYFNXDHP-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO3.C2H8NO4P/c4-2(1-5)3(6)7;3-1-2-7-8(4,5)6/h2,5H,1,4H2,(H,6,7);1-3H2,(H2,4,5,6)/t2-;/m0./s1.
What are the key properties of 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid?
2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid has a molecular weight of 246.16 g/mol, XLogP of -2.56, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid is sourced from PubChem (CID 170987656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).