2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane

C16H26N2O3 — CID 164563516

IUPAC2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
SMILESC.CC(C)C.NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChIInChI=1S/C11H12N2O3.C4H10.CH4/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;1-4(2)3;/h1-2,4-5,9,13-14H,3,12H2,(H,15,16);4H,1-3H3;1H4
InChIKeyNOIGLBIVWVIPMK-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.13
Rot. Bonds3

About 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane

2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane (PubChem CID 164563516) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane.

Molecular Properties

Compound Name2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
PubChem CID164563516
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
SMILESC.CC(C)C.NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChIInChI=1S/C11H12N2O3.C4H10.CH4/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;1-4(2)3;/h1-2,4-5,9,13-14H,3,12H2,(H,15,16);4H,1-3H3;1H4
InChIKeyNOIGLBIVWVIPMK-UHFFFAOYSA-N
XLogP3.13
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
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CID 144798694
2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
CID 19862462
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142449
(2S)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 138734505
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
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CID 86104362
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CID 25111495
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(5-hydroxy-4-nitro-1H-indol-3-yl)propanoic acid
CID 160951159

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane?
The IUPAC name of 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane (CID 164563516) is 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane.
What is the SMILES notation for 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane?
The canonical SMILES for 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane is C.CC(C)C.NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O.
What is the InChIKey of 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane?
The InChIKey is NOIGLBIVWVIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.C4H10.CH4/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;1-4(2)3;/h1-2,4-5,9,13-14H,3,12H2,(H,15,16);4H,1-3H3;1H4.
What are the key properties of 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane?
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane has a molecular weight of 294.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane is sourced from PubChem (CID 164563516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).