(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid

C10H11N3O2 — CID 177285146

IUPAC(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid
SMILESN[C@@H](Nc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-9(10(14)15)13-8-5-12-7-4-2-1-3-6(7)8/h1-5,9,12-13H,11H2,(H,14,15)/t9-/m0/s1
InChIKeyCCIZETYTQXOCFY-VIFPVBQESA-N
MW205.22 g/mol
LogP0.95
Rot. Bonds3

About (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid

(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid (PubChem CID 177285146) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid
PubChem CID177285146
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid
SMILESN[C@@H](Nc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-9(10(14)15)13-8-5-12-7-4-2-1-3-6(7)8/h1-5,9,12-13H,11H2,(H,14,15)/t9-/m0/s1
InChIKeyCCIZETYTQXOCFY-VIFPVBQESA-N
XLogP0.95
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1H-indol-3-ylcarbamic acid
CID 66672709
(1H-indol-3-ylamino)carbamic acid
CID 150338134
N-methyl-1H-indol-3-amine;oxalic acid
CID 69068496
3-amino-4-(1H-indol-3-ylamino)benzoic acid
CID 115127592
N'-(1H-indol-3-yl)methanediamine
CID 115225408
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
CID 92855801
methyl 2-[(1H-indol-3-ylamino)methyl]butanoate
CID 115252999
CID 70188356
CID 70188356
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid?
The IUPAC name of (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid (CID 177285146) is (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid is N[C@@H](Nc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid?
The InChIKey is CCIZETYTQXOCFY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11N3O2/c11-9(10(14)15)13-8-5-12-7-4-2-1-3-6(7)8/h1-5,9,12-13H,11H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid?
(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid has a molecular weight of 205.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid is sourced from PubChem (CID 177285146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).