(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid

C11H13NO3 — CID 171252203

IUPAC(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1OCC[C@@H]2N
InChIInChI=1S/C11H13NO3/c1-6-7(11(13)14)2-3-8-9(12)4-5-15-10(6)8/h2-3,9H,4-5,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyJGNHOSNWLPCVCQ-VIFPVBQESA-N
MW207.23 g/mol
LogP1.48
Rot. Bonds1

About (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid

(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid (PubChem CID 171252203) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
PubChem CID171252203
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1OCC[C@@H]2N
InChIInChI=1S/C11H13NO3/c1-6-7(11(13)14)2-3-8-9(12)4-5-15-10(6)8/h2-3,9H,4-5,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyJGNHOSNWLPCVCQ-VIFPVBQESA-N
XLogP1.48
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride
CID 162344563
(4R)-4-amino-8-methyl-N-pyridin-4-ylsulfanyl-3,4-dihydro-2H-chromene-7-carboxamide
CID 57452059
methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
CID 146014124
4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile
CID 55273180
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride
CID 171252439
(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 131275088
4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 170900351
(4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol
CID 130707462
(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine
CID 129373275
(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130609322
(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
CID 130673760

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid?
The IUPAC name of (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid (CID 171252203) is (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid.
What is the SMILES notation for (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid?
The canonical SMILES for (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid is Cc1c(C(=O)O)ccc2c1OCC[C@@H]2N.
What is the InChIKey of (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid?
The InChIKey is JGNHOSNWLPCVCQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-7(11(13)14)2-3-8-9(12)4-5-15-10(6)8/h2-3,9H,4-5,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid?
(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid is sourced from PubChem (CID 171252203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).