2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide

C16H24N2O5 — CID 67945076

IUPAC2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide
SMILESCCC(CC)C(=O)Nc1ccccc1.O=C(O)CNCC(=O)O
InChIInChI=1S/C12H17NO.C4H7NO4/c1-3-10(4-2)12(14)13-11-8-6-5-7-9-11;6-3(7)1-5-2-4(8)9/h5-10H,3-4H2,1-2H3,(H,13,14);5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyMKPDMKVISLNXMH-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.81
Rot. Bonds8

About 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide

2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide (PubChem CID 67945076) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide.

Molecular Properties

Compound Name2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide
PubChem CID67945076
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide
SMILESCCC(CC)C(=O)Nc1ccccc1.O=C(O)CNCC(=O)O
InChIInChI=1S/C12H17NO.C4H7NO4/c1-3-10(4-2)12(14)13-11-8-6-5-7-9-11;6-3(7)1-5-2-4(8)9/h5-10H,3-4H2,1-2H3,(H,13,14);5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyMKPDMKVISLNXMH-UHFFFAOYSA-N
XLogP1.81
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide
CID 551560
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
3-[4-(2-ethylbutanoylamino)phenyl]butanoic acid
CID 104501817
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
4-anilino-3-benzyl-4-oxobutanoic acid
CID 2909283

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide?
The IUPAC name of 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide (CID 67945076) is 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide.
What is the SMILES notation for 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide?
The canonical SMILES for 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide is CCC(CC)C(=O)Nc1ccccc1.O=C(O)CNCC(=O)O.
What is the InChIKey of 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide?
The InChIKey is MKPDMKVISLNXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C4H7NO4/c1-3-10(4-2)12(14)13-11-8-6-5-7-9-11;6-3(7)1-5-2-4(8)9/h5-10H,3-4H2,1-2H3,(H,13,14);5H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide?
2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide has a molecular weight of 324.38 g/mol, XLogP of 1.81, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide is sourced from PubChem (CID 67945076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).