(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid

C17H24N2O5S — CID 119363037

IUPAC(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H24N2O5S/c1-11(2)9-15(17(21)22)18-16(20)14-6-5-13(10-12(14)3)19-7-4-8-25(19,23)24/h5-6,10-11,15H,4,7-9H2,1-3H3,(H,18,20)(H,21,22)/t15-/m1/s1
InChIKeyHIPXLNZYAQHJAE-OAHLLOKOSA-N
MW368.46 g/mol
LogP1.76
Rot. Bonds6

About (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid (PubChem CID 119363037) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
PubChem CID119363037
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H24N2O5S/c1-11(2)9-15(17(21)22)18-16(20)14-6-5-13(10-12(14)3)19-7-4-8-25(19,23)24/h5-6,10-11,15H,4,7-9H2,1-3H3,(H,18,20)(H,21,22)/t15-/m1/s1
InChIKeyHIPXLNZYAQHJAE-OAHLLOKOSA-N
XLogP1.76
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]propanoic acid
CID 119942706
(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-3-methylbutanoic acid
CID 119368089
4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 46537091
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448189
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoic acid
CID 63653009
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 139003731
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 119440347
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]piperidine-4-carboxylic acid
CID 119349201
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537013
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methylbenzamide
CID 154743912

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid (CID 119363037) is (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid is Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid?
The InChIKey is HIPXLNZYAQHJAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-11(2)9-15(17(21)22)18-16(20)14-6-5-13(10-12(14)3)19-7-4-8-25(19,23)24/h5-6,10-11,15H,4,7-9H2,1-3H3,(H,18,20)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid has a molecular weight of 368.46 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).