(2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid

C10H13NO3 — CID 21139597

IUPAC(2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid
SMILESCO[C@H](c1ccccc1)[C@H](N)C(=O)O
InChIInChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyKKXIHXAQVMPMHW-DTWKUNHWSA-N
MW195.22 g/mol
LogP0.79
Rot. Bonds4

About (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid

(2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid (PubChem CID 21139597) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid
PubChem CID21139597
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid
SMILESCO[C@H](c1ccccc1)[C@H](N)C(=O)O
InChIInChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyKKXIHXAQVMPMHW-DTWKUNHWSA-N
XLogP0.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

O-benzyl-L-serine
CID 78457
(betaR)-beta-Hydroxy-L-phenylalanine
CID 73562
DL-Phenylserine
CID 94134
(2S)-2-amino-3-[hydroxy-[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phenylmethoxypropan-2-yl]oxyphosphoryl]oxypropanoic acid
CID 118584208
(2S,3R)-2-amino-3-(benzyloxy)butanoic acid
CID 6951054
O-Benzyl-D-serine
CID 112114
L-Phenylalanine, phenylmethyl ester, hydrochloride (1:1)
CID 12636208
H-Ser(Bzl)-Ome,hcL
CID 44630138
rel-(betaS)-beta-Hydroxy-D-phenylalanine
CID 111178
O-(Phenylmethyl)serine
CID 4573
Benzyl 2-amino-4-methylpentanoate
CID 102682
3-(Hydroxymethyl)-phenylalanine
CID 67059715

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid (CID 21139597) is (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid is CO[C@H](c1ccccc1)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid?
The InChIKey is KKXIHXAQVMPMHW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid?
(2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-methoxy-3-phenylpropanoic acid is sourced from PubChem (CID 21139597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).