(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid

C9H15N3O6 — CID 6992497

IUPAC(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid
SMILESNCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C9H15N3O6/c10-3-6(13)11-4-7(14)12-5(9(17)18)1-2-8(15)16/h5H,1-4,10H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)/t5-/m0/s1
InChIKeyGDOZQTNZPCUARW-YFKPBYRVSA-N
MW261.23 g/mol
LogP-2.50
Rot. Bonds8

About (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid

(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid (PubChem CID 6992497) has the molecular formula C9H15N3O6 and a molecular weight of 261.23 g/mol. Its IUPAC name is (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid
PubChem CID6992497
Molecular FormulaC9H15N3O6
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid
SMILESNCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C9H15N3O6/c10-3-6(13)11-4-7(14)12-5(9(17)18)1-2-8(15)16/h5H,1-4,10H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)/t5-/m0/s1
InChIKeyGDOZQTNZPCUARW-YFKPBYRVSA-N
XLogP-2.50
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid (CID 6992497) is (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid is NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid?
The InChIKey is GDOZQTNZPCUARW-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H15N3O6/c10-3-6(13)11-4-7(14)12-5(9(17)18)1-2-8(15)16/h5H,1-4,10H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)/t5-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid?
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid has a molecular weight of 261.23 g/mol, XLogP of -2.50, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid is sourced from PubChem (CID 6992497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).