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

C10H13N3O6 — CID 114180679

IUPAC2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1cnc(CNC(=O)N(CC(=O)O)CC(=O)O)o1
InChIInChI=1S/C10H13N3O6/c1-6-2-11-7(19-6)3-12-10(18)13(4-8(14)15)5-9(16)17/h2H,3-5H2,1H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyKCPNTWDBHXAFKU-UHFFFAOYSA-N
MW271.23 g/mol
LogP-0.34
Rot. Bonds6

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

2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 114180679) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
PubChem CID114180679
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1cnc(CNC(=O)N(CC(=O)O)CC(=O)O)o1
InChIInChI=1S/C10H13N3O6/c1-6-2-11-7(19-6)3-12-10(18)13(4-8(14)15)5-9(16)17/h2H,3-5H2,1H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyKCPNTWDBHXAFKU-UHFFFAOYSA-N
XLogP-0.34
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106374477
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 106374605
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 63645313
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 106374501

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid (CID 114180679) is 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid is Cc1cnc(CNC(=O)N(CC(=O)O)CC(=O)O)o1.
What is the InChIKey of 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is KCPNTWDBHXAFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-6-2-11-7(19-6)3-12-10(18)13(4-8(14)15)5-9(16)17/h2H,3-5H2,1H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 271.23 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 114180679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).