(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H13N3O4S — CID 62794481

IUPAC(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1nc(N)sc1C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C10H13N3O4S/c1-4-7(18-10(11)12-4)8(15)13-3-5(14)2-6(13)9(16)17/h5-6,14H,2-3H2,1H3,(H2,11,12)(H,16,17)/t5?,6-/m0/s1
InChIKeyKJMBFAKNQBMCCU-GDVGLLTNSA-N
MW271.30 g/mol
LogP-0.31
Rot. Bonds2

About (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 62794481) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID62794481
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1nc(N)sc1C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C10H13N3O4S/c1-4-7(18-10(11)12-4)8(15)13-3-5(14)2-6(13)9(16)17/h5-6,14H,2-3H2,1H3,(H2,11,12)(H,16,17)/t5?,6-/m0/s1
InChIKeyKJMBFAKNQBMCCU-GDVGLLTNSA-N
XLogP-0.31
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62792239
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080
(2S)-1-(2-amino-1,3-benzothiazole-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 65349495
(2S,4S)-1-(2-amino-1,3-benzothiazole-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 65349655
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(2S)-4-hydroxy-1-(3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61152228
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62792655
1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103399931
(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778304
(2R,4R)-4-hydroxy-1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000895
(2S,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843387
(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 65204163

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 62794481) is (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is Cc1nc(N)sc1C(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is KJMBFAKNQBMCCU-GDVGLLTNSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-4-7(18-10(11)12-4)8(15)13-3-5(14)2-6(13)9(16)17/h5-6,14H,2-3H2,1H3,(H2,11,12)(H,16,17)/t5?,6-/m0/s1.
What are the key properties of (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62794481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).