2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

C17H24N4O8 — CID 68987869

IUPAC2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
SMILESNCC(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C4H7NO4.C2H5NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;5-2(4(8)9)1-3(6)7;3-1-2(4)5/h1-4,6,9,13H,5,12H2,(H,14,15);2H,1,5H2,(H,6,7)(H,8,9);1,3H2,(H,4,5)/t9-;2-;/m00./s1
InChIKeyGWNAZBFRJKDUKK-INJMOQQWSA-N
MW412.40 g/mol
LogP-0.98
Rot. Bonds7

About 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid (PubChem CID 68987869) has the molecular formula C17H24N4O8 and a molecular weight of 412.40 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
PubChem CID68987869
Molecular FormulaC17H24N4O8
Molecular Weight412.40 g/mol
Exact Mass412.16
IUPAC Name2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
SMILESNCC(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C4H7NO4.C2H5NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;5-2(4(8)9)1-3(6)7;3-1-2(4)5/h1-4,6,9,13H,5,12H2,(H,14,15);2H,1,5H2,(H,6,7)(H,8,9);1,3H2,(H,4,5)/t9-;2-;/m00./s1
InChIKeyGWNAZBFRJKDUKK-INJMOQQWSA-N
XLogP-0.98
TPSA243.05 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.40
LogP ≤ 5-0.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
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CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
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CID 70188356
CID 70188356
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2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
2-amino-3-(1H-indol-3-yl)propanoic acid;sulfuric acid
CID 19909490
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;phenol
CID 160637775
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopentanedioic acid
CID 70266557
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 88778377
2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid
CID 67632741

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid (CID 68987869) is 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid is NCC(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is GWNAZBFRJKDUKK-INJMOQQWSA-N. The full InChI is InChI=1S/C11H12N2O2.C4H7NO4.C2H5NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;5-2(4(8)9)1-3(6)7;3-1-2(4)5/h1-4,6,9,13H,5,12H2,(H,14,15);2H,1,5H2,(H,6,7)(H,8,9);1,3H2,(H,4,5)/t9-;2-;/m00./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid?
2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 412.40 g/mol, XLogP of -0.98, 7 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 68987869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).