2-[(2-aminoacetyl)amino]butanedioate

C6H8N2O5-2 — CID 22257641

IUPAC2-[(2-aminoacetyl)amino]butanedioate
SMILESNCC(=O)NC(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/p-2
InChIKeySCCPDJAQCXWPTF-UHFFFAOYSA-L
MW188.14 g/mol
LogP-4.68
Rot. Bonds5

About 2-[(2-aminoacetyl)amino]butanedioate

2-[(2-aminoacetyl)amino]butanedioate (PubChem CID 22257641) has the molecular formula C6H8N2O5-2 and a molecular weight of 188.14 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]butanedioate.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]butanedioate
PubChem CID22257641
Molecular FormulaC6H8N2O5-2
Molecular Weight188.14 g/mol
Exact Mass188.04
IUPAC Name2-[(2-aminoacetyl)amino]butanedioate
SMILESNCC(=O)NC(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/p-2
InChIKeySCCPDJAQCXWPTF-UHFFFAOYSA-L
XLogP-4.68
TPSA135.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-4.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(carbamoylamino)butanedioate
CID 5460257
calcium 2-(carbamoylamino)butanedioate
CID 156759447
dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)
CID 140985784
disodium;(2S)-2-[(2-phosphonoacetyl)amino]butanedioate
CID 14083904
octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate
CID 169006510
bis(cobalt(2+));2-(1,2-dicarboxylatoethylamino)butanedioate
CID 175697407
dicalcium;2-(1,2-dicarboxylatoethylamino)butanedioate
CID 176895513
2-(1,2-dicarboxylatoethylamino)butanedioate;bis(manganese(2+))
CID 87472232
dipotassium;(2S)-2-(dodecanoylamino)butanedioate
CID 87121612
calcium;magnesium;2-(1,2-dicarboxylatoethylamino)butanedioate
CID 87157443
calcium;sodium;2-[(2-carboxy-1-carboxylatoethyl)amino]butanedioate
CID 175697415
disodium;(2S)-2-[[(E)-4-oxopent-2-en-2-yl]amino]butanedioate
CID 88658660

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]butanedioate?
The IUPAC name of 2-[(2-aminoacetyl)amino]butanedioate (CID 22257641) is 2-[(2-aminoacetyl)amino]butanedioate.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]butanedioate?
The canonical SMILES for 2-[(2-aminoacetyl)amino]butanedioate is NCC(=O)NC(CC(=O)[O-])C(=O)[O-].
What is the InChIKey of 2-[(2-aminoacetyl)amino]butanedioate?
The InChIKey is SCCPDJAQCXWPTF-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/p-2.
What are the key properties of 2-[(2-aminoacetyl)amino]butanedioate?
2-[(2-aminoacetyl)amino]butanedioate has a molecular weight of 188.14 g/mol, XLogP of -4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]butanedioate is sourced from PubChem (CID 22257641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).