(2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide

C12H20N4O4 — CID 70513840

IUPAC(2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@H](C)NC(=O)CN1CCCC1=O)C(N)=O
InChIInChI=1S/C12H20N4O4/c1-7(11(13)19)15-12(20)8(2)14-9(17)6-16-5-3-4-10(16)18/h7-8H,3-6H2,1-2H3,(H2,13,19)(H,14,17)(H,15,20)/t7-,8-/m0/s1
InChIKeyBPRYLZRDCYTHQA-YUMQZZPRSA-N
MW284.32 g/mol
LogP-1.90
Rot. Bonds6

About (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide

(2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide (PubChem CID 70513840) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide
PubChem CID70513840
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name(2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@H](C)NC(=O)CN1CCCC1=O)C(N)=O
InChIInChI=1S/C12H20N4O4/c1-7(11(13)19)15-12(20)8(2)14-9(17)6-16-5-3-4-10(16)18/h7-8H,3-6H2,1-2H3,(H2,13,19)(H,14,17)(H,15,20)/t7-,8-/m0/s1
InChIKeyBPRYLZRDCYTHQA-YUMQZZPRSA-N
XLogP-1.90
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide (CID 70513840) is (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide is C[C@H](NC(=O)[C@H](C)NC(=O)CN1CCCC1=O)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide?
The InChIKey is BPRYLZRDCYTHQA-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-7(11(13)19)15-12(20)8(2)14-9(17)6-16-5-3-4-10(16)18/h7-8H,3-6H2,1-2H3,(H2,13,19)(H,14,17)(H,15,20)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide?
(2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide has a molecular weight of 284.32 g/mol, XLogP of -1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide is sourced from PubChem (CID 70513840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).