(2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide

C14H24NO2P — CID 163891362

IUPAC(2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide
SMILESC=PCC[C@H](C)C(=O)NC1(C(C)=O)C[C@H]1C(C)C
InChIInChI=1S/C14H24NO2P/c1-9(2)12-8-14(12,11(4)16)15-13(17)10(3)6-7-18-5/h9-10,12H,5-8H2,1-4H3,(H,15,17)/t10-,12-,14?/m0/s1
InChIKeyQBUUEOBBBYHXAL-RJXBTYEGSA-N
MW269.32 g/mol
LogP2.51
Rot. Bonds7

About (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide

(2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide (PubChem CID 163891362) has the molecular formula C14H24NO2P and a molecular weight of 269.32 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide
PubChem CID163891362
Molecular FormulaC14H24NO2P
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name(2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide
SMILESC=PCC[C@H](C)C(=O)NC1(C(C)=O)C[C@H]1C(C)C
InChIInChI=1S/C14H24NO2P/c1-9(2)12-8-14(12,11(4)16)15-13(17)10(3)6-7-18-5/h9-10,12H,5-8H2,1-4H3,(H,15,17)/t10-,12-,14?/m0/s1
InChIKeyQBUUEOBBBYHXAL-RJXBTYEGSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide?
The IUPAC name of (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide (CID 163891362) is (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide?
The canonical SMILES for (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide is C=PCC[C@H](C)C(=O)NC1(C(C)=O)C[C@H]1C(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide?
The InChIKey is QBUUEOBBBYHXAL-RJXBTYEGSA-N. The full InChI is InChI=1S/C14H24NO2P/c1-9(2)12-8-14(12,11(4)16)15-13(17)10(3)6-7-18-5/h9-10,12H,5-8H2,1-4H3,(H,15,17)/t10-,12-,14?/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide?
(2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide has a molecular weight of 269.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide is sourced from PubChem (CID 163891362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).