5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride

C19H29ClN2O5 — CID 72948569

IUPAC5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC(CCCN)C(=O)O)O2.Cl
InChIInChI=1S/C19H28N2O5.ClH/c1-10-11(2)16-13(12(3)15(10)22)7-8-19(4,26-16)18(25)21-14(17(23)24)6-5-9-20;/h14,22H,5-9,20H2,1-4H3,(H,21,25)(H,23,24);1H
InChIKeyAKTGUXAXJPPRAY-UHFFFAOYSA-N
MW400.90 g/mol
LogP2.13
Rot. Bonds6

About 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride

5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride (PubChem CID 72948569) has the molecular formula C19H29ClN2O5 and a molecular weight of 400.90 g/mol. Its IUPAC name is 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride
PubChem CID72948569
Molecular FormulaC19H29ClN2O5
Molecular Weight400.90 g/mol
Exact Mass400.18
IUPAC Name5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC(CCCN)C(=O)O)O2.Cl
InChIInChI=1S/C19H28N2O5.ClH/c1-10-11(2)16-13(12(3)15(10)22)7-8-19(4,26-16)18(25)21-14(17(23)24)6-5-9-20;/h14,22H,5-9,20H2,1-4H3,(H,21,25)(H,23,24);1H
InChIKeyAKTGUXAXJPPRAY-UHFFFAOYSA-N
XLogP2.13
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.90
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride with MolForge

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Related Compounds

(2R)-5-amino-2-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
CID 140931004
(2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
CID 129027213
N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948200
(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 67262914
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
CID 145405922
6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid
CID 71092064
methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 158142227
6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 6723427
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
CID 72523898
N-[2-[[2-(1-aminoethylideneamino)acetyl]amino]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948563

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride?
The IUPAC name of 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride (CID 72948569) is 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride.
What is the SMILES notation for 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride?
The canonical SMILES for 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC(CCCN)C(=O)O)O2.Cl.
What is the InChIKey of 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride?
The InChIKey is AKTGUXAXJPPRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5.ClH/c1-10-11(2)16-13(12(3)15(10)22)7-8-19(4,26-16)18(25)21-14(17(23)24)6-5-9-20;/h14,22H,5-9,20H2,1-4H3,(H,21,25)(H,23,24);1H.
What are the key properties of 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride?
5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride has a molecular weight of 400.90 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride is sourced from PubChem (CID 72948569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).