2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide

C7H15N3O3 — CID 106236536

IUPAC2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
SMILESCC(N)C(=O)NCCOCC(N)=O
InChIInChI=1S/C7H15N3O3/c1-5(8)7(12)10-2-3-13-4-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12)
InChIKeyXSOXXHRKHOVALY-UHFFFAOYSA-N
MW189.21 g/mol
LogP-2.05
Rot. Bonds6

About 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide (PubChem CID 106236536) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
PubChem CID106236536
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
SMILESCC(N)C(=O)NCCOCC(N)=O
InChIInChI=1S/C7H15N3O3/c1-5(8)7(12)10-2-3-13-4-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12)
InChIKeyXSOXXHRKHOVALY-UHFFFAOYSA-N
XLogP-2.05
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
CID 106235067
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 106236540
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
CID 106236788
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-methylsulfanylbutanamide
CID 106236591

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide (CID 106236536) is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide is CC(N)C(=O)NCCOCC(N)=O.
What is the InChIKey of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide?
The InChIKey is XSOXXHRKHOVALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-5(8)7(12)10-2-3-13-4-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide?
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide has a molecular weight of 189.21 g/mol, XLogP of -2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide is sourced from PubChem (CID 106236536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).