(2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid

C13H23N3O7 — CID 71216034

IUPAC(2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid
SMILESCN[C@H](C(=O)O)C(O)CN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O
InChIInChI=1S/C13H23N3O7/c1-14-10(13(22)23)9(17)6-15-7(11(18)19)2-4-16-5-3-8(16)12(20)21/h7-10,14-15,17H,2-6H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t7-,8-,9?,10-/m0/s1
InChIKeyHXDZPEUFZQQKCL-HQRIKABESA-N
MW333.34 g/mol
LogP-2.39
Rot. Bonds11

About (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid

(2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid (PubChem CID 71216034) has the molecular formula C13H23N3O7 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid
PubChem CID71216034
Molecular FormulaC13H23N3O7
Molecular Weight333.34 g/mol
Exact Mass333.15
IUPAC Name(2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid
SMILESCN[C@H](C(=O)O)C(O)CN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O
InChIInChI=1S/C13H23N3O7/c1-14-10(13(22)23)9(17)6-15-7(11(18)19)2-4-16-5-3-8(16)12(20)21/h7-10,14-15,17H,2-6H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t7-,8-,9?,10-/m0/s1
InChIKeyHXDZPEUFZQQKCL-HQRIKABESA-N
XLogP-2.39
TPSA159.43 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.34
LogP ≤ 5-2.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid (CID 71216034) is (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid is CN[C@H](C(=O)O)C(O)CN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O.
What is the InChIKey of (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid?
The InChIKey is HXDZPEUFZQQKCL-HQRIKABESA-N. The full InChI is InChI=1S/C13H23N3O7/c1-14-10(13(22)23)9(17)6-15-7(11(18)19)2-4-16-5-3-8(16)12(20)21/h7-10,14-15,17H,2-6H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t7-,8-,9?,10-/m0/s1.
What are the key properties of (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid?
(2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of -2.39, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-2-hydroxy-3-(methylamino)propyl]amino]propyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 71216034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).