(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid

C13H19NO3 — CID 10799879

IUPAC(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
SMILESC[C@@H](N)[C@@H](C(=O)O)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-9(14)12(13(15)16)10(2)17-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,14H2,1-2H3,(H,15,16)/t9-,10-,12-/m1/s1
InChIKeyCXIQEFJARCFTGJ-CKYFFXLPSA-N
MW237.30 g/mol
LogP1.64
Rot. Bonds6

About (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid

(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid (PubChem CID 10799879) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
PubChem CID10799879
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
SMILESC[C@@H](N)[C@@H](C(=O)O)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-9(14)12(13(15)16)10(2)17-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,14H2,1-2H3,(H,15,16)/t9-,10-,12-/m1/s1
InChIKeyCXIQEFJARCFTGJ-CKYFFXLPSA-N
XLogP1.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
(2-amino-3-phenylmethoxybutyl) carbamate
CID 58079589
[(2S)-2-amino-3-phenylmethoxybutyl] carbamate
CID 90463692
2-amino-3-phenylmethoxybutan-1-ol;methane
CID 162219428
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 4-amino-3-methylpentanoate
CID 174893438
2-methyl-3-(1-phenylmethoxyethyl)pent-4-ynoic acid
CID 71346287
(2R)-2-amino-2-phenylmethoxyacetamide
CID 129192787

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid?
The IUPAC name of (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid (CID 10799879) is (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid.
What is the SMILES notation for (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid?
The canonical SMILES for (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid is C[C@@H](N)[C@@H](C(=O)O)[C@@H](C)OCc1ccccc1.
What is the InChIKey of (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid?
The InChIKey is CXIQEFJARCFTGJ-CKYFFXLPSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(14)12(13(15)16)10(2)17-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,14H2,1-2H3,(H,15,16)/t9-,10-,12-/m1/s1.
What are the key properties of (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid?
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid is sourced from PubChem (CID 10799879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).