2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate

C10H17N3O4 — CID 11902902

IUPAC2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate
SMILESC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]
InChIInChI=1S/C10H17N3O4/c1-6(11)10(17)13-4-2-3-7(13)9(16)12-5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t6-,7-/m0/s1
InChIKeyUGTHTQWIQKEDEH-BQBZGAKWSA-N
MW243.26 g/mol
LogP-3.53
Rot. Bonds4

About 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate

2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate (PubChem CID 11902902) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate
PubChem CID11902902
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate
SMILESC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]
InChIInChI=1S/C10H17N3O4/c1-6(11)10(17)13-4-2-3-7(13)9(16)12-5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t6-,7-/m0/s1
InChIKeyUGTHTQWIQKEDEH-BQBZGAKWSA-N
XLogP-3.53
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-3.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate (CID 11902902) is 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate is C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is UGTHTQWIQKEDEH-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(11)10(17)13-4-2-3-7(13)9(16)12-5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t6-,7-/m0/s1.
What are the key properties of 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate?
2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 243.26 g/mol, XLogP of -3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 11902902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).