2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

C12H20N4O5 — CID 71450660

IUPAC2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESC[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C12H20N4O5/c1-7(15-9(17)5-13)12(21)16-4-2-3-8(16)11(20)14-6-10(18)19/h7-8H,2-6,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)/t7-,8-/m0/s1
InChIKeyPRCWSSALMZBWJM-YUMQZZPRSA-N
MW300.32 g/mol
LogP-2.36
Rot. Bonds6

About 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 71450660) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID71450660
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESC[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C12H20N4O5/c1-7(15-9(17)5-13)12(21)16-4-2-3-8(16)11(20)14-6-10(18)19/h7-8H,2-6,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)/t7-,8-/m0/s1
InChIKeyPRCWSSALMZBWJM-YUMQZZPRSA-N
XLogP-2.36
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-2.36
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)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid (CID 71450660) is 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid is C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is PRCWSSALMZBWJM-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H20N4O5/c1-7(15-9(17)5-13)12(21)16-4-2-3-8(16)11(20)14-6-10(18)19/h7-8H,2-6,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)/t7-,8-/m0/s1.
What are the key properties of 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 300.32 g/mol, XLogP of -2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 71450660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).