[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium

C7H14N3O4+ — CID 23278184

IUPAC[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium
SMILES[NH3+]CCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C7H13N3O4/c8-2-1-5(11)9-3-6(12)10-4-7(13)14/h1-4,8H2,(H,9,11)(H,10,12)(H,13,14)/p+1
InChIKeyKFZPLMGKDOHBHG-UHFFFAOYSA-O
MW204.21 g/mol
LogP-3.06
Rot. Bonds6

About [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium

[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium (PubChem CID 23278184) has the molecular formula C7H14N3O4+ and a molecular weight of 204.21 g/mol. Its IUPAC name is [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium.

Molecular Properties

Compound Name[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium
PubChem CID23278184
Molecular FormulaC7H14N3O4+
Molecular Weight204.21 g/mol
Exact Mass204.10
IUPAC Name[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium
SMILES[NH3+]CCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C7H13N3O4/c8-2-1-5(11)9-3-6(12)10-4-7(13)14/h1-4,8H2,(H,9,11)(H,10,12)(H,13,14)/p+1
InChIKeyKFZPLMGKDOHBHG-UHFFFAOYSA-O
XLogP-3.06
TPSA123.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-3.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[[2-(3-methylsulfanylpropanoylamino)acetyl]amino]acetic acid
CID 43387642
2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid
CID 101240963
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 59692232
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
CID 144959900
bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate
CID 139058986
2-[[2-[4-(propan-2-ylamino)butanoylamino]acetyl]amino]acetic acid
CID 61160831
2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422762

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium?
The IUPAC name of [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium (CID 23278184) is [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium.
What is the SMILES notation for [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium?
The canonical SMILES for [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium is [NH3+]CCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium?
The InChIKey is KFZPLMGKDOHBHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N3O4/c8-2-1-5(11)9-3-6(12)10-4-7(13)14/h1-4,8H2,(H,9,11)(H,10,12)(H,13,14)/p+1.
What are the key properties of [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium?
[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium has a molecular weight of 204.21 g/mol, XLogP of -3.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium is sourced from PubChem (CID 23278184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).