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

C19H28N2O5 — CID 129027213

IUPAC(2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@H](CCCN)C(=O)O)O2
InChIInChI=1S/C19H28N2O5/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)/t14-,19+/m1/s1
InChIKeyAWDUVUVTRBGTMH-KUHUBIRLSA-N
MW364.44 g/mol
LogP1.71
Rot. Bonds6

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

(2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid (PubChem CID 129027213) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
PubChem CID129027213
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name(2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@H](CCCN)C(=O)O)O2
InChIInChI=1S/C19H28N2O5/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)/t14-,19+/m1/s1
InChIKeyAWDUVUVTRBGTMH-KUHUBIRLSA-N
XLogP1.71
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid 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
5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride
CID 72948569
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
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethanone;methyl propanoate
CID 162758648

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid (CID 129027213) is (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@H](CCCN)C(=O)O)O2.
What is the InChIKey of (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid?
The InChIKey is AWDUVUVTRBGTMH-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H28N2O5/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)/t14-,19+/m1/s1.
What are the key properties of (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid?
(2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid has a molecular weight of 364.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 129027213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).