(4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid

C25H25N3O5 — CID 69016616

IUPAC(4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)Nc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1
InChIInChI=1S/C25H25N3O5/c26-20(9-13-24(29)30)25(31)28-18-7-12-23(27-15-18)32-19-8-11-22-17(14-19)6-10-21(33-22)16-4-2-1-3-5-16/h1-5,7-8,11-12,14-15,20-21H,6,9-10,13,26H2,(H,28,31)(H,29,30)/t20-,21?/m0/s1
InChIKeyRCWLVCRGOTUEFE-BGERDNNASA-N
MW447.49 g/mol
LogP4.07
Rot. Bonds8

About (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid

(4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid (PubChem CID 69016616) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid
PubChem CID69016616
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name(4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)Nc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1
InChIInChI=1S/C25H25N3O5/c26-20(9-13-24(29)30)25(31)28-18-7-12-23(27-15-18)32-19-8-11-22-17(14-19)6-10-21(33-22)16-4-2-1-3-5-16/h1-5,7-8,11-12,14-15,20-21H,6,9-10,13,26H2,(H,28,31)(H,29,30)/t20-,21?/m0/s1
InChIKeyRCWLVCRGOTUEFE-BGERDNNASA-N
XLogP4.07
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid
CID 69015839
2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride
CID 69015094
2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine
CID 69015492
tert-butyl N-[3-methyl-1-oxo-1-[[6-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]amino]butan-2-yl]carbamate
CID 69017055
6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridine-3-carboxylic acid
CID 159522239
N,N-dimethyl-6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-amine
CID 69017074
2-chloro-N-[6-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]-3-pyridinyl]acetamide
CID 69016760
2-acetamido-N-[6-[(4-oxo-2-phenyl-2,3-dihydrochromen-6-yl)oxy]-3-pyridinyl]acetamide
CID 69017752
(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]imino]butanoic acid
CID 69016396
(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 122658193
(2R)-2-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 71292751
methyl 2-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]acetate
CID 71292735

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid (CID 69016616) is (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid is N[C@@H](CCC(=O)O)C(=O)Nc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1.
What is the InChIKey of (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid?
The InChIKey is RCWLVCRGOTUEFE-BGERDNNASA-N. The full InChI is InChI=1S/C25H25N3O5/c26-20(9-13-24(29)30)25(31)28-18-7-12-23(27-15-18)32-19-8-11-22-17(14-19)6-10-21(33-22)16-4-2-1-3-5-16/h1-5,7-8,11-12,14-15,20-21H,6,9-10,13,26H2,(H,28,31)(H,29,30)/t20-,21?/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid?
(4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid has a molecular weight of 447.49 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 69016616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).