4-[(2-phenylmethoxyacetyl)amino]butanoic acid

C13H17NO4 — CID 43239307

IUPAC4-[(2-phenylmethoxyacetyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)COCc1ccccc1
InChIInChI=1S/C13H17NO4/c15-12(14-8-4-7-13(16)17)10-18-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17)
InChIKeyYEWXZOGPRVPYEP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.18
Rot. Bonds8

About 4-[(2-phenylmethoxyacetyl)amino]butanoic acid

4-[(2-phenylmethoxyacetyl)amino]butanoic acid (PubChem CID 43239307) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-[(2-phenylmethoxyacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-phenylmethoxyacetyl)amino]butanoic acid
PubChem CID43239307
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-[(2-phenylmethoxyacetyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)COCc1ccccc1
InChIInChI=1S/C13H17NO4/c15-12(14-8-4-7-13(16)17)10-18-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17)
InChIKeyYEWXZOGPRVPYEP-UHFFFAOYSA-N
XLogP1.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-phenylmethoxyacetamide
CID 126717674
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
4-(phenylmethoxyamino)butanoic acid;hydrochloride
CID 139029466
N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
CID 58756722
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylmethoxyacetyl)amino]butanoic acid?
The IUPAC name of 4-[(2-phenylmethoxyacetyl)amino]butanoic acid (CID 43239307) is 4-[(2-phenylmethoxyacetyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-phenylmethoxyacetyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-phenylmethoxyacetyl)amino]butanoic acid is O=C(O)CCCNC(=O)COCc1ccccc1.
What is the InChIKey of 4-[(2-phenylmethoxyacetyl)amino]butanoic acid?
The InChIKey is YEWXZOGPRVPYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-12(14-8-4-7-13(16)17)10-18-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(2-phenylmethoxyacetyl)amino]butanoic acid?
4-[(2-phenylmethoxyacetyl)amino]butanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylmethoxyacetyl)amino]butanoic acid is sourced from PubChem (CID 43239307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).