2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid

C11H15N3O6 — CID 79242133

IUPAC2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1noc(C)c1CNC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H15N3O6/c1-6-8(7(2)20-13-6)3-12-11(19)14(4-9(15)16)5-10(17)18/h3-5H2,1-2H3,(H,12,19)(H,15,16)(H,17,18)
InChIKeyFDLWDPARKSOIMN-UHFFFAOYSA-N
MW285.26 g/mol
LogP-0.03
Rot. Bonds6

About 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid

2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 79242133) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
PubChem CID79242133
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1noc(C)c1CNC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H15N3O6/c1-6-8(7(2)20-13-6)3-12-11(19)14(4-9(15)16)5-10(17)18/h3-5H2,1-2H3,(H,12,19)(H,15,16)(H,17,18)
InChIKeyFDLWDPARKSOIMN-UHFFFAOYSA-N
XLogP-0.03
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241738
3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 79241978
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 63645313
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
CID 83821117
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid
CID 61011467
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 47862151
4-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-oxopentanoic acid
CID 79235985
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 79241741

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid (CID 79242133) is 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid is Cc1noc(C)c1CNC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is FDLWDPARKSOIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-6-8(7(2)20-13-6)3-12-11(19)14(4-9(15)16)5-10(17)18/h3-5H2,1-2H3,(H,12,19)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 285.26 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79242133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).