2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid

C11H19N3O4 — CID 70521839

IUPAC2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESNC(=O)CC[C@H](N)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H19N3O4/c12-7(4-5-9(13)15)10(16)14-8-3-1-2-6(8)11(17)18/h6-8H,1-5,12H2,(H2,13,15)(H,14,16)(H,17,18)/t6?,7-,8?/m0/s1
InChIKeyDUVWQXHEQXSAGR-WTIBDHCWSA-N
MW257.29 g/mol
LogP-1.05
Rot. Bonds6

About 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid

2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 70521839) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID70521839
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESNC(=O)CC[C@H](N)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H19N3O4/c12-7(4-5-9(13)15)10(16)14-8-3-1-2-6(8)11(17)18/h6-8H,1-5,12H2,(H2,13,15)(H,14,16)(H,17,18)/t6?,7-,8?/m0/s1
InChIKeyDUVWQXHEQXSAGR-WTIBDHCWSA-N
XLogP-1.05
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid (CID 70521839) is 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid is NC(=O)CC[C@H](N)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is DUVWQXHEQXSAGR-WTIBDHCWSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-7(4-5-9(13)15)10(16)14-8-3-1-2-6(8)11(17)18/h6-8H,1-5,12H2,(H2,13,15)(H,14,16)(H,17,18)/t6?,7-,8?/m0/s1.
What are the key properties of 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid?
2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 70521839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).