(2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid

C30H27NO5 — CID 56777141

IUPAC(2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid
SMILESO=C(N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C30H27NO5/c32-28(33)27(31-29(34)35-21-23-13-5-1-6-14-23)22-36-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,31,34)(H,32,33)/t27-/m0/s1
InChIKeyUJUYQQUYKCIHJN-MHZLTWQESA-N
MW481.55 g/mol
LogP5.37
Rot. Bonds10

About (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid

(2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid (PubChem CID 56777141) has the molecular formula C30H27NO5 and a molecular weight of 481.55 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid
PubChem CID56777141
Molecular FormulaC30H27NO5
Molecular Weight481.55 g/mol
Exact Mass481.19
IUPAC Name(2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid
SMILESO=C(N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C30H27NO5/c32-28(33)27(31-29(34)35-21-23-13-5-1-6-14-23)22-36-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,31,34)(H,32,33)/t27-/m0/s1
InChIKeyUJUYQQUYKCIHJN-MHZLTWQESA-N
XLogP5.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 11232535
3-(2-methyl-2-phenylmethoxypropoxy)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 146471668
tert-butyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate
CID 10915135
4-iodo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18788291
(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid
CID 170745120
(4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-3-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 67105596
(2S)-4-aminooxy-2-(phenylmethoxycarbonylamino)butanoic acid
CID 165477509
(2R)-3-cyano-2-(phenylmethoxycarbonylamino)propanoic acid
CID 12771374
(2R)-3-(benzylamino)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 91872599
5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005
(2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 11747521
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid?
The IUPAC name of (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid (CID 56777141) is (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid.
What is the SMILES notation for (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid?
The canonical SMILES for (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid is O=C(N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid?
The InChIKey is UJUYQQUYKCIHJN-MHZLTWQESA-N. The full InChI is InChI=1S/C30H27NO5/c32-28(33)27(31-29(34)35-21-23-13-5-1-6-14-23)22-36-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,31,34)(H,32,33)/t27-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid?
(2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid has a molecular weight of 481.55 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid is sourced from PubChem (CID 56777141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).