2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide

C10H20N4O2 — CID 43137524

IUPAC2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(CCCN)C1CC1
InChIInChI=1S/C10H20N4O2/c1-7(9(15)13-10(12)16)14(6-2-5-11)8-3-4-8/h7-8H,2-6,11H2,1H3,(H3,12,13,15,16)
InChIKeyXJXCZZOCTXORKQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.62
Rot. Bonds6

About 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide

2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide (PubChem CID 43137524) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
PubChem CID43137524
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(CCCN)C1CC1
InChIInChI=1S/C10H20N4O2/c1-7(9(15)13-10(12)16)14(6-2-5-11)8-3-4-8/h7-8H,2-6,11H2,1H3,(H3,12,13,15,16)
InChIKeyXJXCZZOCTXORKQ-UHFFFAOYSA-N
XLogP-0.62
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide?
The IUPAC name of 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide (CID 43137524) is 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide?
The canonical SMILES for 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide is CC(C(=O)NC(N)=O)N(CCCN)C1CC1.
What is the InChIKey of 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide?
The InChIKey is XJXCZZOCTXORKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7(9(15)13-10(12)16)14(6-2-5-11)8-3-4-8/h7-8H,2-6,11H2,1H3,(H3,12,13,15,16).
What are the key properties of 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide?
2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide has a molecular weight of 228.30 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide is sourced from PubChem (CID 43137524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).