2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol

C12H19NO4 — CID 174962232

IUPAC2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol
SMILESCCC(O)c1ccccc1.NC(CO)C(=O)O
InChIInChI=1S/C9H12O.C3H7NO3/c1-2-9(10)8-6-4-3-5-7-8;4-2(1-5)3(6)7/h3-7,9-10H,2H2,1H3;2,5H,1,4H2,(H,6,7)
InChIKeyHHNQFTBWBQYVEZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol

2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol (PubChem CID 174962232) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol
PubChem CID174962232
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol
SMILESCCC(O)c1ccccc1.NC(CO)C(=O)O
InChIInChI=1S/C9H12O.C3H7NO3/c1-2-9(10)8-6-4-3-5-7-8;4-2(1-5)3(6)7/h3-7,9-10H,2H2,1H3;2,5H,1,4H2,(H,6,7)
InChIKeyHHNQFTBWBQYVEZ-UHFFFAOYSA-N
XLogP0.52
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylpropan-1-ol;hydrate
CID 156782934
2-amino-4-hydroxy-4-phenylbutanoic acid
CID 11997564
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CID 71757982
dichloromethane;1-phenylpropan-1-ol
CID 175142848
2-amino-3-hydroxypropanoic acid;fluorobenzene
CID 175128385
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
CID 66730568
(2S)-2-amino-3-hydroxypropanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
CID 68665630
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70461893
(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 157145146
2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 70187376

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol (CID 174962232) is 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol is CCC(O)c1ccccc1.NC(CO)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol?
The InChIKey is HHNQFTBWBQYVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C3H7NO3/c1-2-9(10)8-6-4-3-5-7-8;4-2(1-5)3(6)7/h3-7,9-10H,2H2,1H3;2,5H,1,4H2,(H,6,7).
What are the key properties of 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol?
2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol has a molecular weight of 241.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol is sourced from PubChem (CID 174962232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).