(2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid

C11H17N3O5 — CID 155452106

IUPAC(2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid
SMILESNC[C@H](NC(=O)CCCN1C(=O)C=CC1O)C(=O)O
InChIInChI=1S/C11H17N3O5/c12-6-7(11(18)19)13-8(15)2-1-5-14-9(16)3-4-10(14)17/h3-4,7,9,16H,1-2,5-6,12H2,(H,13,15)(H,18,19)/t7-,9?/m0/s1
InChIKeySGLXHTKYVYYYLJ-JAVCKPHESA-N
MW271.27 g/mol
LogP-1.99
Rot. Bonds7

About (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid

(2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid (PubChem CID 155452106) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid
PubChem CID155452106
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name(2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid
SMILESNC[C@H](NC(=O)CCCN1C(=O)C=CC1O)C(=O)O
InChIInChI=1S/C11H17N3O5/c12-6-7(11(18)19)13-8(15)2-1-5-14-9(16)3-4-10(14)17/h3-4,7,9,16H,1-2,5-6,12H2,(H,13,15)(H,18,19)/t7-,9?/m0/s1
InChIKeySGLXHTKYVYYYLJ-JAVCKPHESA-N
XLogP-1.99
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid?
The IUPAC name of (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid (CID 155452106) is (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid.
What is the SMILES notation for (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid?
The canonical SMILES for (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid is NC[C@H](NC(=O)CCCN1C(=O)C=CC1O)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid?
The InChIKey is SGLXHTKYVYYYLJ-JAVCKPHESA-N. The full InChI is InChI=1S/C11H17N3O5/c12-6-7(11(18)19)13-8(15)2-1-5-14-9(16)3-4-10(14)17/h3-4,7,9,16H,1-2,5-6,12H2,(H,13,15)(H,18,19)/t7-,9?/m0/s1.
What are the key properties of (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid?
(2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid has a molecular weight of 271.27 g/mol, XLogP of -1.99, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]propanoic acid is sourced from PubChem (CID 155452106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).