2-(3-phenylmethoxypropylamino)nonanedioic acid

C19H29NO5 — CID 20563086

IUPAC2-(3-phenylmethoxypropylamino)nonanedioic acid
SMILESO=C(O)CCCCCCC(NCCCOCc1ccccc1)C(=O)O
InChIInChI=1S/C19H29NO5/c21-18(22)12-7-2-1-6-11-17(19(23)24)20-13-8-14-25-15-16-9-4-3-5-10-16/h3-5,9-10,17,20H,1-2,6-8,11-15H2,(H,21,22)(H,23,24)
InChIKeyFYQMBCZBSCTOJN-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.06
Rot. Bonds15

About 2-(3-phenylmethoxypropylamino)nonanedioic acid

2-(3-phenylmethoxypropylamino)nonanedioic acid (PubChem CID 20563086) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-(3-phenylmethoxypropylamino)nonanedioic acid.

Molecular Properties

Compound Name2-(3-phenylmethoxypropylamino)nonanedioic acid
PubChem CID20563086
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name2-(3-phenylmethoxypropylamino)nonanedioic acid
SMILESO=C(O)CCCCCCC(NCCCOCc1ccccc1)C(=O)O
InChIInChI=1S/C19H29NO5/c21-18(22)12-7-2-1-6-11-17(19(23)24)20-13-8-14-25-15-16-9-4-3-5-10-16/h3-5,9-10,17,20H,1-2,6-8,11-15H2,(H,21,22)(H,23,24)
InChIKeyFYQMBCZBSCTOJN-UHFFFAOYSA-N
XLogP3.06
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
(2S)-2-[(3-oxo-3-phenylmethoxypropyl)amino]pentanedioic acid
CID 67577410
2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
2-(6-aminohexylamino)decanedioic acid
CID 140815288
(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119165871
8-[2-(7-carboxyheptoxy)-3-[2-[2-[2-(2-phenylmethoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]propoxy]octanoic acid
CID 169059619

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxypropylamino)nonanedioic acid?
The IUPAC name of 2-(3-phenylmethoxypropylamino)nonanedioic acid (CID 20563086) is 2-(3-phenylmethoxypropylamino)nonanedioic acid.
What is the SMILES notation for 2-(3-phenylmethoxypropylamino)nonanedioic acid?
The canonical SMILES for 2-(3-phenylmethoxypropylamino)nonanedioic acid is O=C(O)CCCCCCC(NCCCOCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(3-phenylmethoxypropylamino)nonanedioic acid?
The InChIKey is FYQMBCZBSCTOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c21-18(22)12-7-2-1-6-11-17(19(23)24)20-13-8-14-25-15-16-9-4-3-5-10-16/h3-5,9-10,17,20H,1-2,6-8,11-15H2,(H,21,22)(H,23,24).
What are the key properties of 2-(3-phenylmethoxypropylamino)nonanedioic acid?
2-(3-phenylmethoxypropylamino)nonanedioic acid has a molecular weight of 351.44 g/mol, XLogP of 3.06, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypropylamino)nonanedioic acid is sourced from PubChem (CID 20563086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).