2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid

C7H15N3O3 — CID 107440465

IUPAC2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
SMILESNCCCN(CC(N)=O)CC(=O)O
InChIInChI=1S/C7H15N3O3/c8-2-1-3-10(4-6(9)11)5-7(12)13/h1-5,8H2,(H2,9,11)(H,12,13)
InChIKeyYPAJGINMBRGZSR-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.79
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid (PubChem CID 107440465) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
PubChem CID107440465
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
SMILESNCCCN(CC(N)=O)CC(=O)O
InChIInChI=1S/C7H15N3O3/c8-2-1-3-10(4-6(9)11)5-7(12)13/h1-5,8H2,(H2,9,11)(H,12,13)
InChIKeyYPAJGINMBRGZSR-UHFFFAOYSA-N
XLogP-1.79
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(3-aminopropyl)amino]acetic acid
CID 15799499
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
2-[bis(2-aminoethyl)amino]acetic acid
CID 15523358
2-[bis[2-[bis(2-amino-2-oxoethyl)amino]ethyl]amino]acetamide
CID 10134862
3-[bis(3-aminopropyl)amino]propanamide
CID 88922422
2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid
CID 126603056
2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid
CID 139393080
2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
CID 86150620
CID 58262349
CID 58262349
CID 131881711
CID 131881711

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid (CID 107440465) is 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid is NCCCN(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid?
The InChIKey is YPAJGINMBRGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c8-2-1-3-10(4-6(9)11)5-7(12)13/h1-5,8H2,(H2,9,11)(H,12,13).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid has a molecular weight of 189.21 g/mol, XLogP of -1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid is sourced from PubChem (CID 107440465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).