(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C12H17N3O4 — CID 106374898

IUPAC(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(CNC(=O)N2CCC[C@H]2C(=O)O)oc1C
InChIInChI=1S/C12H17N3O4/c1-7-8(2)19-10(14-7)6-13-12(18)15-5-3-4-9(15)11(16)17/h9H,3-6H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1
InChIKeyUXLDNWSRXHFTEO-VIFPVBQESA-N
MW267.28 g/mol
LogP1.05
Rot. Bonds3

About (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 106374898) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID106374898
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(CNC(=O)N2CCC[C@H]2C(=O)O)oc1C
InChIInChI=1S/C12H17N3O4/c1-7-8(2)19-10(14-7)6-13-12(18)15-5-3-4-9(15)11(16)17/h9H,3-6H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1
InChIKeyUXLDNWSRXHFTEO-VIFPVBQESA-N
XLogP1.05
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922501
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111505139
(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 139322097
(2R)-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922682
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
CID 71919607
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 114180734
(2R)-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923324
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 106374898) is (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1nc(CNC(=O)N2CCC[C@H]2C(=O)O)oc1C.
What is the InChIKey of (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UXLDNWSRXHFTEO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-8(2)19-10(14-7)6-13-12(18)15-5-3-4-9(15)11(16)17/h9H,3-6H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106374898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).