(2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one

C13H18N2O2 — CID 129496154

IUPAC(2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCOCc1cccc2c1CCN2C(=O)[C@@H](C)N
InChIInChI=1S/C13H18N2O2/c1-9(14)13(16)15-7-6-11-10(8-17-2)4-3-5-12(11)15/h3-5,9H,6-8,14H2,1-2H3/t9-/m1/s1
InChIKeyDALMQSYOHQRDBR-SECBINFHSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds3

About (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one

(2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 129496154) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID129496154
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCOCc1cccc2c1CCN2C(=O)[C@@H](C)N
InChIInChI=1S/C13H18N2O2/c1-9(14)13(16)15-7-6-11-10(8-17-2)4-3-5-12(11)15/h3-5,9H,6-8,14H2,1-2H3/t9-/m1/s1
InChIKeyDALMQSYOHQRDBR-SECBINFHSA-N
XLogP1.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204186
(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 129494804
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119326470
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
3-amino-2-methyl-1-(4-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 120500994
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
CID 112706569

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one (CID 129496154) is (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one is COCc1cccc2c1CCN2C(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is DALMQSYOHQRDBR-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(14)13(16)15-7-6-11-10(8-17-2)4-3-5-12(11)15/h3-5,9H,6-8,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 129496154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).