(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid

C12H17NO4 — CID 40543805

IUPAC(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
SMILESC[C@@H](NC[C@@H](O)COc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO4/c1-9(12(15)16)13-7-10(14)8-17-11-5-3-2-4-6-11/h2-6,9-10,13-14H,7-8H2,1H3,(H,15,16)/t9-,10-/m1/s1
InChIKeySODYCHYFRGDOLE-NXEZZACHSA-N
MW239.27 g/mol
LogP0.49
Rot. Bonds7

About (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid

(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid (PubChem CID 40543805) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
PubChem CID40543805
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
SMILESC[C@@H](NC[C@@H](O)COc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO4/c1-9(12(15)16)13-7-10(14)8-17-11-5-3-2-4-6-11/h2-6,9-10,13-14H,7-8H2,1H3,(H,15,16)/t9-,10-/m1/s1
InChIKeySODYCHYFRGDOLE-NXEZZACHSA-N
XLogP0.49
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769
(2S,3S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-methylpentanoic acid
CID 51412077
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
(2S)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]pentanedioic acid
CID 40548603
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
CID 54335726
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 40548644
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid (CID 40543805) is (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid is C[C@@H](NC[C@@H](O)COc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid?
The InChIKey is SODYCHYFRGDOLE-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17NO4/c1-9(12(15)16)13-7-10(14)8-17-11-5-3-2-4-6-11/h2-6,9-10,13-14H,7-8H2,1H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid is sourced from PubChem (CID 40543805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).