(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid

C20H21NO6 — CID 97050480

IUPAC(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid
SMILESO=CN(OCc1ccccc1)[C@@H](CCC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO6/c22-15-21(27-14-17-9-5-2-6-10-17)18(11-12-19(23)24)20(25)26-13-16-7-3-1-4-8-16/h1-10,15,18H,11-14H2,(H,23,24)/t18-/m0/s1
InChIKeyHHEQTALDZHNUTE-SFHVURJKSA-N
MW371.39 g/mol
LogP2.55
Rot. Bonds11

About (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid

(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 97050480) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid
PubChem CID97050480
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid
SMILESO=CN(OCc1ccccc1)[C@@H](CCC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO6/c22-15-21(27-14-17-9-5-2-6-10-17)18(11-12-19(23)24)20(25)26-13-16-7-3-1-4-8-16/h1-10,15,18H,11-14H2,(H,23,24)/t18-/m0/s1
InChIKeyHHEQTALDZHNUTE-SFHVURJKSA-N
XLogP2.55
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-[(4-chlorophenoxy)-methoxyphosphoryl]-2-[formyl(phenylmethoxy)amino]butanoate
CID 87063289
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
benzyl 4-[butoxy(phenoxy)phosphoryl]-2-[formyl(phenylmethoxy)amino]butanoate
CID 87063348
(4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 141142502
(2S)-2-[formyl(phenylmethoxy)amino]-3-methylbutanoic acid
CID 174326736
2-[benzyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 14887414
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 90945491
(4S)-4-(methylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 59366990
benzyl (2S)-2-(dibenzylamino)-5-oxopentanoate
CID 10993087
5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 18711702
3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid
CID 123848169
2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide
CID 90833679

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid (CID 97050480) is (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid is O=CN(OCc1ccccc1)[C@@H](CCC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is HHEQTALDZHNUTE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO6/c22-15-21(27-14-17-9-5-2-6-10-17)18(11-12-19(23)24)20(25)26-13-16-7-3-1-4-8-16/h1-10,15,18H,11-14H2,(H,23,24)/t18-/m0/s1.
What are the key properties of (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid?
(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid has a molecular weight of 371.39 g/mol, XLogP of 2.55, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 97050480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).