(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid

C20H23NO5 — CID 67806638

IUPAC(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid
SMILESC[C@H](CNC(=O)OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C20H23NO5/c1-15(12-21-20(24)26-14-17-10-6-3-7-11-17)18(19(22)23)25-13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,24)(H,22,23)/t15-,18+/m1/s1
InChIKeyGXVDAMPNMXUVLQ-QAPCUYQASA-N
MW357.41 g/mol
LogP3.22
Rot. Bonds9

About (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid

(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid (PubChem CID 67806638) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid
PubChem CID67806638
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid
SMILESC[C@H](CNC(=O)OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C20H23NO5/c1-15(12-21-20(24)26-14-17-10-6-3-7-11-17)18(19(22)23)25-13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,24)(H,22,23)/t15-,18+/m1/s1
InChIKeyGXVDAMPNMXUVLQ-QAPCUYQASA-N
XLogP3.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid
CID 70815205
4-formamido-3-methyl-2-phenylmethoxybutanoic acid
CID 174622466
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 12647876
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid?
The IUPAC name of (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid (CID 67806638) is (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid is C[C@H](CNC(=O)OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid?
The InChIKey is GXVDAMPNMXUVLQ-QAPCUYQASA-N. The full InChI is InChI=1S/C20H23NO5/c1-15(12-21-20(24)26-14-17-10-6-3-7-11-17)18(19(22)23)25-13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,24)(H,22,23)/t15-,18+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid?
(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid has a molecular weight of 357.41 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 67806638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).