2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid

C20H23NO5 — CID 67292704

IUPAC2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(NCCCC(OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C20H23NO5/c22-19(23)18(25-14-16-8-3-1-4-9-16)12-7-13-21-20(24)26-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)(H,22,23)
InChIKeyFQTMNAIDDDFURL-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.36
Rot. Bonds10

About 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid

2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 67292704) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID67292704
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(NCCCC(OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C20H23NO5/c22-19(23)18(25-14-16-8-3-1-4-9-16)12-7-13-21-20(24)26-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)(H,22,23)
InChIKeyFQTMNAIDDDFURL-UHFFFAOYSA-N
XLogP3.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
[1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium
CID 90765384
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
5-hydroxy-2-phenylmethoxypentanoic acid
CID 141073018
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate
CID 162413576
benzyl N-(6-methylheptyl)carbamate
CID 59918495

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid (CID 67292704) is 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid is O=C(NCCCC(OCc1ccccc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is FQTMNAIDDDFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c22-19(23)18(25-14-16-8-3-1-4-9-16)12-7-13-21-20(24)26-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)(H,22,23).
What are the key properties of 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid?
2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 357.41 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 67292704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).