2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

C11H19N3O5 — CID 11990215

IUPAC2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(15)9(12)11(19)14-4-2-3-7(14)10(18)13-5-8(16)17/h6-7,9,15H,2-5,12H2,1H3,(H,13,18)(H,16,17)/t6-,7+,9+/m1/s1
InChIKeyMXDOAJQRJBMGMO-FJXKBIBVSA-N
MW273.29 g/mol
LogP-2.11
Rot. Bonds5

About 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 11990215) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID11990215
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(15)9(12)11(19)14-4-2-3-7(14)10(18)13-5-8(16)17/h6-7,9,15H,2-5,12H2,1H3,(H,13,18)(H,16,17)/t6-,7+,9+/m1/s1
InChIKeyMXDOAJQRJBMGMO-FJXKBIBVSA-N
XLogP-2.11
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid (CID 11990215) is 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid is C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is MXDOAJQRJBMGMO-FJXKBIBVSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-6(15)9(12)11(19)14-4-2-3-7(14)10(18)13-5-8(16)17/h6-7,9,15H,2-5,12H2,1H3,(H,13,18)(H,16,17)/t6-,7+,9+/m1/s1.
What are the key properties of 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -2.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 11990215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).