(2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid

C16H20N2O2 — CID 10355890

IUPAC(2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid
SMILESCC(C)(C)/C=N/[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-16(2,3)10-18-14(15(19)20)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,14,17H,8H2,1-3H3,(H,19,20)/b18-10+/t14-/m1/s1
InChIKeyOOUADQBATUYCKW-YFEUJDIGSA-N
MW272.35 g/mol
LogP3.28
Rot. Bonds4

About (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid

(2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid (PubChem CID 10355890) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid
PubChem CID10355890
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid
SMILESCC(C)(C)/C=N/[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-16(2,3)10-18-14(15(19)20)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,14,17H,8H2,1-3H3,(H,19,20)/b18-10+/t14-/m1/s1
InChIKeyOOUADQBATUYCKW-YFEUJDIGSA-N
XLogP3.28
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoate
CID 126456184
2-(ethylideneamino)-3-(1H-indol-3-yl)propanoic acid
CID 174322974
(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoic acid
CID 135407769
(2S)-3-(1H-indol-3-yl)-2-thionitrosopropanoic acid
CID 87396106
(2S)-2-diazenyl-3-(1H-indol-3-yl)propanoic acid
CID 87649532
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
(2S)-2-[acetyl(tert-butyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 90882540
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
(2R)-2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-3-(1H-indol-3-yl)propanoic acid
CID 135957728
(2S)-2-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]-3-(1H-indol-3-yl)propanoic acid
CID 135531203
(3S)-4-(1H-indol-3-yl)-3-(methylideneamino)butan-2-one
CID 70834795
(2S)-3-(1H-indol-3-yl)-2-[[(5S)-2,4,6-trioxo-1-propan-2-yl-1,3-diazinan-5-yl]methylideneamino]propanoic acid
CID 7556703

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid (CID 10355890) is (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid is CC(C)(C)/C=N/[C@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is OOUADQBATUYCKW-YFEUJDIGSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)10-18-14(15(19)20)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,14,17H,8H2,1-3H3,(H,19,20)/b18-10+/t14-/m1/s1.
What are the key properties of (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid?
(2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dimethylpropylideneamino)-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 10355890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).