2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid

C10H18N2O4 — CID 143478140

IUPAC2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid
SMILESCC/C(CC(=O)OC)=N\N(CC)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-4-8(6-10(15)16-3)11-12(5-2)7-9(13)14/h4-7H2,1-3H3,(H,13,14)/b11-8+
InChIKeyLNFMHRIPAJPGAW-DHZHZOJOSA-N
MW230.26 g/mol
LogP0.72
Rot. Bonds7

About 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid

2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid (PubChem CID 143478140) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid
PubChem CID143478140
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid
SMILESCC/C(CC(=O)OC)=N\N(CC)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-4-8(6-10(15)16-3)11-12(5-2)7-9(13)14/h4-7H2,1-3H3,(H,13,14)/b11-8+
InChIKeyLNFMHRIPAJPGAW-DHZHZOJOSA-N
XLogP0.72
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 91567189
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2-(dimethoxyamino)acetic acid
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CID 43135721
methyl 3-propan-2-yliminohexanoate
CID 139895331
2-[ethyl(methoxy)amino]acetic acid
CID 87131030
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
methyl propanoate;dihydrochloride
CID 140968159
CID 87773794
CID 87773794

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid (CID 143478140) is 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid is CC/C(CC(=O)OC)=N\N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid?
The InChIKey is LNFMHRIPAJPGAW-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-4-8(6-10(15)16-3)11-12(5-2)7-9(13)14/h4-7H2,1-3H3,(H,13,14)/b11-8+.
What are the key properties of 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid?
2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid is sourced from PubChem (CID 143478140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).