(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid

C21H26N2O5 — CID 119363379

IUPAC(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
SMILESCCOc1cc(C(=O)N[C@H](CC(C)C)C(=O)O)ccc1OCc1cccnc1
InChIInChI=1S/C21H26N2O5/c1-4-27-19-11-16(20(24)23-17(21(25)26)10-14(2)3)7-8-18(19)28-13-15-6-5-9-22-12-15/h5-9,11-12,14,17H,4,10,13H2,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyDKWXHQALNRYKTL-QGZVFWFLSA-N
MW386.45 g/mol
LogP3.29
Rot. Bonds10

About (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119363379) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119363379
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
SMILESCCOc1cc(C(=O)N[C@H](CC(C)C)C(=O)O)ccc1OCc1cccnc1
InChIInChI=1S/C21H26N2O5/c1-4-27-19-11-16(20(24)23-17(21(25)26)10-14(2)3)7-8-18(19)28-13-15-6-5-9-22-12-15/h5-9,11-12,14,17H,4,10,13H2,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyDKWXHQALNRYKTL-QGZVFWFLSA-N
XLogP3.29
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
propan-2-yl 3-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-3-phenylpropanoate
CID 43058875
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676638
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517164
N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
CID 52663723
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55575692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid (CID 119363379) is (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid is CCOc1cc(C(=O)N[C@H](CC(C)C)C(=O)O)ccc1OCc1cccnc1.
What is the InChIKey of (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is DKWXHQALNRYKTL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-27-19-11-16(20(24)23-17(21(25)26)10-14(2)3)7-8-18(19)28-13-15-6-5-9-22-12-15/h5-9,11-12,14,17H,4,10,13H2,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 386.45 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).