2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid

C14H20N2O3 — CID 63324134

IUPAC2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-16(10-14(18)19)13(17)9-8-12(15)11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,18,19)
InChIKeyVBHGMGNMOMGYNT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.40
Rot. Bonds7

About 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid

2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid (PubChem CID 63324134) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
PubChem CID63324134
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-16(10-14(18)19)13(17)9-8-12(15)11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,18,19)
InChIKeyVBHGMGNMOMGYNT-UHFFFAOYSA-N
XLogP1.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
CID 63691274
3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741
2-[ethyl(3-phenylpentanoyl)amino]acetic acid
CID 119206232
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119952064
4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide
CID 63324041
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
4-amino-1,4-diphenylbutan-1-one
CID 116570833
6-amino-2-methyl-6-phenylhex-1-en-3-one
CID 116570824

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid (CID 63324134) is 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid?
The InChIKey is VBHGMGNMOMGYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-16(10-14(18)19)13(17)9-8-12(15)11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,18,19).
What are the key properties of 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid?
2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid is sourced from PubChem (CID 63324134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).