(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid

C11H15N3O6 — CID 106374550

IUPAC(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
SMILESCc1cnc(CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)o1
InChIInChI=1S/C11H15N3O6/c1-6-4-12-8(20-6)5-13-11(19)14-7(10(17)18)2-3-9(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)/t7-/m0/s1
InChIKeyFRCOHILNAHBGID-ZETCQYMHSA-N
MW285.26 g/mol
LogP0.10
Rot. Bonds7

About (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid

(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid (PubChem CID 106374550) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
PubChem CID106374550
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
SMILESCc1cnc(CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)o1
InChIInChI=1S/C11H15N3O6/c1-6-4-12-8(20-6)5-13-11(19)14-7(10(17)18)2-3-9(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)/t7-/m0/s1
InChIKeyFRCOHILNAHBGID-ZETCQYMHSA-N
XLogP0.10
TPSA141.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanedioic acid
CID 106374611
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 106374501
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
(2S)-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanedioic acid
CID 62309110
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
(2S)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106005543
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid
CID 106402767
(2R)-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanedioic acid
CID 107839056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid (CID 106374550) is (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid is Cc1cnc(CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)o1.
What is the InChIKey of (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid?
The InChIKey is FRCOHILNAHBGID-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-6-4-12-8(20-6)5-13-11(19)14-7(10(17)18)2-3-9(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid?
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid has a molecular weight of 285.26 g/mol, XLogP of 0.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid is sourced from PubChem (CID 106374550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).