7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid

C16H23NO4 — CID 120687217

IUPAC7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
SMILESCO[C@@H](C(=O)NCCCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-21-15(13-9-5-4-6-10-13)16(20)17-12-8-3-2-7-11-14(18)19/h4-6,9-10,15H,2-3,7-8,11-12H2,1H3,(H,17,20)(H,18,19)/t15-/m1/s1
InChIKeySRLCTYQVRQSVBM-OAHLLOKOSA-N
MW293.36 g/mol
LogP2.53
Rot. Bonds10

About 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid

7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid (PubChem CID 120687217) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
PubChem CID120687217
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
SMILESCO[C@@H](C(=O)NCCCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-21-15(13-9-5-4-6-10-13)16(20)17-12-8-3-2-7-11-14(18)19/h4-6,9-10,15H,2-3,7-8,11-12H2,1H3,(H,17,20)(H,18,19)/t15-/m1/s1
InChIKeySRLCTYQVRQSVBM-OAHLLOKOSA-N
XLogP2.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.53
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

6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440
N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
CID 106308008
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
7-[2-(3-methoxyphenyl)propanoylamino]heptanoic acid
CID 119350863
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
5-(2-methoxypropanoylamino)pentanoic acid
CID 115731347

Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid?
The IUPAC name of 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid (CID 120687217) is 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid is CO[C@@H](C(=O)NCCCCCCC(=O)O)c1ccccc1.
What is the InChIKey of 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid?
The InChIKey is SRLCTYQVRQSVBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO4/c1-21-15(13-9-5-4-6-10-13)16(20)17-12-8-3-2-7-11-14(18)19/h4-6,9-10,15H,2-3,7-8,11-12H2,1H3,(H,17,20)(H,18,19)/t15-/m1/s1.
What are the key properties of 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid?
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid is sourced from PubChem (CID 120687217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).