(4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid

C20H21NO6 — CID 7018162

IUPAC(4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO6/c22-18(23)12-11-17(19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyVWHKODOUMSMUAF-QGZVFWFLSA-N
MW371.39 g/mol
LogP2.89
Rot. Bonds9

About (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid

(4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 7018162) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID7018162
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO6/c22-18(23)12-11-17(19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyVWHKODOUMSMUAF-QGZVFWFLSA-N
XLogP2.89
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid (CID 7018162) is (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid is O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is VWHKODOUMSMUAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21NO6/c22-18(23)12-11-17(19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)/t17-/m1/s1.
What are the key properties of (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid?
(4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 371.39 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 7018162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).