(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid

C12H17N3O5S — CID 107265677

IUPAC(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)Nc1nc(C)c(C)s1)C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-6-7(2)21-12(13-6)15-11(19)14-8(10(17)18)4-5-9(16)20-3/h8H,4-5H2,1-3H3,(H,17,18)(H2,13,14,15,19)/t8-/m1/s1
InChIKeyGJPZBHOMCUSYGY-MRVPVSSYSA-N
MW315.35 g/mol
LogP1.29
Rot. Bonds6

About (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107265677) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID107265677
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)Nc1nc(C)c(C)s1)C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-6-7(2)21-12(13-6)15-11(19)14-8(10(17)18)4-5-9(16)20-3/h8H,4-5H2,1-3H3,(H,17,18)(H2,13,14,15,19)/t8-/m1/s1
InChIKeyGJPZBHOMCUSYGY-MRVPVSSYSA-N
XLogP1.29
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid (CID 107265677) is (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)Nc1nc(C)c(C)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is GJPZBHOMCUSYGY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-6-7(2)21-12(13-6)15-11(19)14-8(10(17)18)4-5-9(16)20-3/h8H,4-5H2,1-3H3,(H,17,18)(H2,13,14,15,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 315.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107265677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).