propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate

C27H31FN2O5 — CID 22871010

IUPACpropan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate
SMILESCC(C)OC(=O)CC(NC(=O)[C@H](CC(=O)n1c2ccccc2c2ccccc21)C(C)C)C(=O)CF
InChIInChI=1S/C27H31FN2O5/c1-16(2)20(27(34)29-21(24(31)15-28)14-26(33)35-17(3)4)13-25(32)30-22-11-7-5-9-18(22)19-10-6-8-12-23(19)30/h5-12,16-17,20-21H,13-15H2,1-4H3,(H,29,34)/t20-,21?/m1/s1
InChIKeyIODNPVSATMJIEE-VQCQRNETSA-N
MW482.55 g/mol
LogP4.46
Rot. Bonds10

About propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate

propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate (PubChem CID 22871010) has the molecular formula C27H31FN2O5 and a molecular weight of 482.55 g/mol. Its IUPAC name is propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate
PubChem CID22871010
Molecular FormulaC27H31FN2O5
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Namepropan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate
SMILESCC(C)OC(=O)CC(NC(=O)[C@H](CC(=O)n1c2ccccc2c2ccccc21)C(C)C)C(=O)CF
InChIInChI=1S/C27H31FN2O5/c1-16(2)20(27(34)29-21(24(31)15-28)14-26(33)35-17(3)4)13-25(32)30-22-11-7-5-9-18(22)19-10-6-8-12-23(19)30/h5-12,16-17,20-21H,13-15H2,1-4H3,(H,29,34)/t20-,21?/m1/s1
InChIKeyIODNPVSATMJIEE-VQCQRNETSA-N
XLogP4.46
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate?
The IUPAC name of propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate (CID 22871010) is propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate.
What is the SMILES notation for propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate?
The canonical SMILES for propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate is CC(C)OC(=O)CC(NC(=O)[C@H](CC(=O)n1c2ccccc2c2ccccc21)C(C)C)C(=O)CF.
What is the InChIKey of propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate?
The InChIKey is IODNPVSATMJIEE-VQCQRNETSA-N. The full InChI is InChI=1S/C27H31FN2O5/c1-16(2)20(27(34)29-21(24(31)15-28)14-26(33)35-17(3)4)13-25(32)30-22-11-7-5-9-18(22)19-10-6-8-12-23(19)30/h5-12,16-17,20-21H,13-15H2,1-4H3,(H,29,34)/t20-,21?/m1/s1.
What are the key properties of propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate?
propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate has a molecular weight of 482.55 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate is sourced from PubChem (CID 22871010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).