2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid

C10H17N3O4 — CID 71401898

IUPAC2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(9(16)12-5-8(14)15)13-10(17)7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,16)(H,13,17)(H,14,15)/t6-,7-/m0/s1
InChIKeyKIZQGKLMXKGDIV-BQBZGAKWSA-N
MW243.26 g/mol
LogP-1.56
Rot. Bonds5

About 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid

2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid (PubChem CID 71401898) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid
PubChem CID71401898
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(9(16)12-5-8(14)15)13-10(17)7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,16)(H,13,17)(H,14,15)/t6-,7-/m0/s1
InChIKeyKIZQGKLMXKGDIV-BQBZGAKWSA-N
XLogP-1.56
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid (CID 71401898) is 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid is C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid?
The InChIKey is KIZQGKLMXKGDIV-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(9(16)12-5-8(14)15)13-10(17)7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,16)(H,13,17)(H,14,15)/t6-,7-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid?
2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 71401898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).