2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C24H23N3O5S — CID 165471279

IUPAC2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)O)cs1
InChIInChI=1S/C24H23N3O5S/c1-13(21(28)25-14(2)22-27-20(12-33-22)23(29)30)26-24(31)32-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-14,19H,11H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)/t13-,14?/m1/s1
InChIKeyRCVQTIHQMJDKHE-KWCCSABGSA-N
MW465.53 g/mol
LogP3.95
Rot. Bonds7

About 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 165471279) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID165471279
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)O)cs1
InChIInChI=1S/C24H23N3O5S/c1-13(21(28)25-14(2)22-27-20(12-33-22)23(29)30)26-24(31)32-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-14,19H,11H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)/t13-,14?/m1/s1
InChIKeyRCVQTIHQMJDKHE-KWCCSABGSA-N
XLogP3.95
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropyl]-1,3-thiazole-4-carboxylic acid
CID 11418797
9H-fluoren-9-ylmethyl N-[1-oxo-1-[[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]amino]propan-2-yl]carbamate
CID 58937812
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
(2S,3S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoic acid
CID 11729562
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]benzoic acid
CID 67117093
2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methoxybutanoic acid
CID 165447658
(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 22943221
methyl (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-sulfanylpropanoate
CID 12967892
3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]benzoic acid
CID 165482203

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 165471279) is 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RCVQTIHQMJDKHE-KWCCSABGSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-13(21(28)25-14(2)22-27-20(12-33-22)23(29)30)26-24(31)32-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-14,19H,11H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)/t13-,14?/m1/s1.
What are the key properties of 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 465.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 165471279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).