3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide

C11H19N5O2 — CID 118011725

IUPAC3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide
SMILESNC(=O)CCN(CCC(N)=O)CCc1cnc[nH]1
InChIInChI=1S/C11H19N5O2/c12-10(17)2-5-16(6-3-11(13)18)4-1-9-7-14-8-15-9/h7-8H,1-6H2,(H2,12,17)(H2,13,18)(H,14,15)
InChIKeyDMZJZEVSZJMFFX-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.00
Rot. Bonds9

About 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide

3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide (PubChem CID 118011725) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide
PubChem CID118011725
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide
SMILESNC(=O)CCN(CCC(N)=O)CCc1cnc[nH]1
InChIInChI=1S/C11H19N5O2/c12-10(17)2-5-16(6-3-11(13)18)4-1-9-7-14-8-15-9/h7-8H,1-6H2,(H2,12,17)(H2,13,18)(H,14,15)
InChIKeyDMZJZEVSZJMFFX-UHFFFAOYSA-N
XLogP-1.00
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide?
The IUPAC name of 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide (CID 118011725) is 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide is NC(=O)CCN(CCC(N)=O)CCc1cnc[nH]1.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide?
The InChIKey is DMZJZEVSZJMFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c12-10(17)2-5-16(6-3-11(13)18)4-1-9-7-14-8-15-9/h7-8H,1-6H2,(H2,12,17)(H2,13,18)(H,14,15).
What are the key properties of 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide?
3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide has a molecular weight of 253.31 g/mol, XLogP of -1.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide is sourced from PubChem (CID 118011725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).