2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid

C9H16N4O5 — CID 62923700

IUPAC2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H16N4O5/c1-2-12(5-8(16)17)9(18)13(3-6(10)14)4-7(11)15/h2-5H2,1H3,(H2,10,14)(H2,11,15)(H,16,17)
InChIKeyFOMQZTRCMDWWBT-UHFFFAOYSA-N
MW260.25 g/mol
LogP-2.21
Rot. Bonds7

About 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid

2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid (PubChem CID 62923700) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
PubChem CID62923700
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H16N4O5/c1-2-12(5-8(16)17)9(18)13(3-6(10)14)4-7(11)15/h2-5H2,1H3,(H2,10,14)(H2,11,15)(H,16,17)
InChIKeyFOMQZTRCMDWWBT-UHFFFAOYSA-N
XLogP-2.21
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 107438237
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
CID 63644812
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 107438469
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid?
The IUPAC name of 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid (CID 62923700) is 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid?
The InChIKey is FOMQZTRCMDWWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5/c1-2-12(5-8(16)17)9(18)13(3-6(10)14)4-7(11)15/h2-5H2,1H3,(H2,10,14)(H2,11,15)(H,16,17).
What are the key properties of 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid?
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of -2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid is sourced from PubChem (CID 62923700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).