2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid

C11H15N3O6 — CID 106389320

IUPAC2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCc1cnc(C(C)NC(=O)N(CC(=O)O)CC(=O)O)o1
InChIInChI=1S/C11H15N3O6/c1-6-3-12-10(20-6)7(2)13-11(19)14(4-8(15)16)5-9(17)18/h3,7H,4-5H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyLYFHGVARIFYVKF-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.22
Rot. Bonds6

About 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid

2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 106389320) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID106389320
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCc1cnc(C(C)NC(=O)N(CC(=O)O)CC(=O)O)o1
InChIInChI=1S/C11H15N3O6/c1-6-3-12-10(20-6)7(2)13-11(19)14(4-8(15)16)5-9(17)18/h3,7H,4-5H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyLYFHGVARIFYVKF-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389409
2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389276
3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 106389285
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
CID 106388731
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 114180679
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid (CID 106389320) is 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid is Cc1cnc(C(C)NC(=O)N(CC(=O)O)CC(=O)O)o1.
What is the InChIKey of 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is LYFHGVARIFYVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-6-3-12-10(20-6)7(2)13-11(19)14(4-8(15)16)5-9(17)18/h3,7H,4-5H2,1-2H3,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 285.26 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106389320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).