[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid

C13H20NO5P — CID 57149554

IUPAC[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1
InChIKeyDRLKMEFBZYZZJV-LLVKDONJSA-N
MW301.28 g/mol
LogP2.87
Rot. Bonds6

About [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid

[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid (PubChem CID 57149554) has the molecular formula C13H20NO5P and a molecular weight of 301.28 g/mol. Its IUPAC name is [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid
PubChem CID57149554
Molecular FormulaC13H20NO5P
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC Name[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1
InChIKeyDRLKMEFBZYZZJV-LLVKDONJSA-N
XLogP2.87
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid?
The IUPAC name of [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid (CID 57149554) is [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid.
What is the SMILES notation for [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid?
The canonical SMILES for [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid is CC(C)OP(=O)(O)[C@H](C)NC(=O)OCc1ccccc1.
What is the InChIKey of [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid?
The InChIKey is DRLKMEFBZYZZJV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1.
What are the key properties of [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid?
[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid has a molecular weight of 301.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxyphosphinic acid is sourced from PubChem (CID 57149554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).