(2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid

C14H19N3O2 — CID 70101978

IUPAC(2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid
SMILESCN(C)C[C@](N)(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-17(2)9-14(15,13(18)19)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8,16H,7,9,15H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyOZOBQKVFFAEMBJ-CQSZACIVSA-N
MW261.32 g/mol
LogP1.05
Rot. Bonds5

About (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid

(2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 70101978) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid
PubChem CID70101978
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid
SMILESCN(C)C[C@](N)(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-17(2)9-14(15,13(18)19)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8,16H,7,9,15H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyOZOBQKVFFAEMBJ-CQSZACIVSA-N
XLogP1.05
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1H-indol-3-ylmethyl)octanoic acid;dihydrochloride
CID 174428555
benzene;2-(dimethylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 174391418
2,4-diamino-2-(1H-indol-3-ylmethyl)-3-oxobutanoic acid
CID 21116792
[2-carboxy-1-(1H-indol-3-yl)propan-2-yl]-trimethylazanium
CID 91357862
1-(dimethylamino)-2-(1H-indol-3-yl)ethane-1,1-diol
CID 172578399
methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612
diethyl 2-amino-2-(1H-indol-3-ylmethyl)propanedioate
CID 14315603
(2S)-2-amino-2-(1H-indol-3-ylmethyl)-3-oxo-3-phenoxypropanoic acid
CID 154079459
2-hydroxy-2-(1H-indol-3-ylmethyl)-4,5-dioxohexanoic acid
CID 59215234
(2S)-2-amino-2-(1H-indol-3-ylmethyl)-3-oxo-3-phenylmethoxypropanoic acid
CID 57089143
(2R,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)-5-oxohexanoic acid
CID 58835525
(2R)-2-hydroxy-2-(1H-indol-3-ylmethyl)-4-oxopentanedioic acid
CID 11601732

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid (CID 70101978) is (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid is CN(C)C[C@](N)(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is OZOBQKVFFAEMBJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(2)9-14(15,13(18)19)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8,16H,7,9,15H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid?
(2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 70101978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).