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

C9H13N3O4 — CID 43465797

IUPAC2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
SMILESCc1cc(NC(=O)CCNCC(=O)O)no1
InChIInChI=1S/C9H13N3O4/c1-6-4-7(12-16-6)11-8(13)2-3-10-5-9(14)15/h4,10H,2-3,5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyPNKBYDBHZYALSL-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.01
Rot. Bonds6

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

2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid (PubChem CID 43465797) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
PubChem CID43465797
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
SMILESCc1cc(NC(=O)CCNCC(=O)O)no1
InChIInChI=1S/C9H13N3O4/c1-6-4-7(12-16-6)11-8(13)2-3-10-5-9(14)15/h4,10H,2-3,5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyPNKBYDBHZYALSL-UHFFFAOYSA-N
XLogP-0.01
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271
3-acetamido-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614580
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370392
2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetic acid
CID 119171544
3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17225907
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
3-(cycloheptylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109031668
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?
The IUPAC name of 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid (CID 43465797) is 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid is Cc1cc(NC(=O)CCNCC(=O)O)no1.
What is the InChIKey of 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?
The InChIKey is PNKBYDBHZYALSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-6-4-7(12-16-6)11-8(13)2-3-10-5-9(14)15/h4,10H,2-3,5H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid has a molecular weight of 227.22 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid is sourced from PubChem (CID 43465797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).