3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide

C9H20N4O3 — CID 23422456

IUPAC3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide
SMILESNC(=O)CCNCC(O)CNCCC(N)=O
InChIInChI=1S/C9H20N4O3/c10-8(15)1-3-12-5-7(14)6-13-4-2-9(11)16/h7,12-14H,1-6H2,(H2,10,15)(H2,11,16)
InChIKeyKMVMQFXXWUQHRT-UHFFFAOYSA-N
MW232.28 g/mol
LogP-2.72
Rot. Bonds10

About 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide

3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide (PubChem CID 23422456) has the molecular formula C9H20N4O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound Name3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide
PubChem CID23422456
Molecular FormulaC9H20N4O3
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC Name3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide
SMILESNC(=O)CCNCC(O)CNCCC(N)=O
InChIInChI=1S/C9H20N4O3/c10-8(15)1-3-12-5-7(14)6-13-4-2-9(11)16/h7,12-14H,1-6H2,(H2,10,15)(H2,11,16)
InChIKeyKMVMQFXXWUQHRT-UHFFFAOYSA-N
XLogP-2.72
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide?
The IUPAC name of 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide (CID 23422456) is 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide is NC(=O)CCNCC(O)CNCCC(N)=O.
What is the InChIKey of 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide?
The InChIKey is KMVMQFXXWUQHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3/c10-8(15)1-3-12-5-7(14)6-13-4-2-9(11)16/h7,12-14H,1-6H2,(H2,10,15)(H2,11,16).
What are the key properties of 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide?
3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide has a molecular weight of 232.28 g/mol, XLogP of -2.72, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3-amino-3-oxopropyl)amino]-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 23422456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).