2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid

C9H13NO5 — CID 123791715

IUPAC2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid
SMILESC=CCCCOC(=O)CNC(=O)C(=O)O
InChIInChI=1S/C9H13NO5/c1-2-3-4-5-15-7(11)6-10-8(12)9(13)14/h2H,1,3-6H2,(H,10,12)(H,13,14)
InChIKeyQCVAXPZQSSKYED-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.30
Rot. Bonds6

About 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid

2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid (PubChem CID 123791715) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid
PubChem CID123791715
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid
SMILESC=CCCCOC(=O)CNC(=O)C(=O)O
InChIInChI=1S/C9H13NO5/c1-2-3-4-5-15-7(11)6-10-8(12)9(13)14/h2H,1,3-6H2,(H,10,12)(H,13,14)
InChIKeyQCVAXPZQSSKYED-UHFFFAOYSA-N
XLogP-0.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate
CID 86683904
pent-4-enyl pent-4-enoate
CID 86018729
bis(pent-4-enyl) decanedioate
CID 91694638
5-oxo-5-undec-10-enoxypentanoic acid
CID 11778631
(Z)-4-oxo-4-pent-4-enoxybut-2-enoic acid
CID 141049132
but-3-enyl hept-6-enoate
CID 86101121
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
pent-4-enyl 2-cyanoacetate
CID 12029471
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034
5-O-pent-4-enyl 1-O-propyl pentanedioate
CID 91706414
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
pent-4-enyl 3-chlorobutanoate
CID 527693

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid?
The IUPAC name of 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid (CID 123791715) is 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid?
The canonical SMILES for 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid is C=CCCCOC(=O)CNC(=O)C(=O)O.
What is the InChIKey of 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid?
The InChIKey is QCVAXPZQSSKYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-2-3-4-5-15-7(11)6-10-8(12)9(13)14/h2H,1,3-6H2,(H,10,12)(H,13,14).
What are the key properties of 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid?
2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid has a molecular weight of 215.20 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid is sourced from PubChem (CID 123791715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).