(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid

C12H15N3O3 — CID 88542339

IUPAC(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESCON(N)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C12H15N3O3/c1-18-15(13)11(12(16)17)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6,13H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyMAJYCULHUUWWNP-NSHDSACASA-N
MW249.27 g/mol
LogP0.90
Rot. Bonds5

About (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid

(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 88542339) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID88542339
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESCON(N)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C12H15N3O3/c1-18-15(13)11(12(16)17)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6,13H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyMAJYCULHUUWWNP-NSHDSACASA-N
XLogP0.90
TPSA91.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
(2S)-2-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 141473656
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
2-[di(propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 11845681
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
2-[acetyl(1H-indol-3-ylmethyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 51362594
(2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 175089869
methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
(2S)-2-[acetyl(tert-butyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 90882540
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid (CID 88542339) is (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid is CON(N)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is MAJYCULHUUWWNP-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-15(13)11(12(16)17)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6,13H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid?
(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 88542339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).