3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide

C9H18N4O3 — CID 21035899

IUPAC3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide
SMILESCNCC(=O)NC(CN)C(=O)NCC(C)=O
InChIInChI=1S/C9H18N4O3/c1-6(14)4-12-9(16)7(3-10)13-8(15)5-11-2/h7,11H,3-5,10H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyZVRLQDVLSFRXTQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP-2.65
Rot. Bonds7

About 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide

3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide (PubChem CID 21035899) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide.

Molecular Properties

Compound Name3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide
PubChem CID21035899
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide
SMILESCNCC(=O)NC(CN)C(=O)NCC(C)=O
InChIInChI=1S/C9H18N4O3/c1-6(14)4-12-9(16)7(3-10)13-8(15)5-11-2/h7,11H,3-5,10H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyZVRLQDVLSFRXTQ-UHFFFAOYSA-N
XLogP-2.65
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide?
The IUPAC name of 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide (CID 21035899) is 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide.
What is the SMILES notation for 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide?
The canonical SMILES for 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide is CNCC(=O)NC(CN)C(=O)NCC(C)=O.
What is the InChIKey of 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide?
The InChIKey is ZVRLQDVLSFRXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-6(14)4-12-9(16)7(3-10)13-8(15)5-11-2/h7,11H,3-5,10H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide?
3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide has a molecular weight of 230.27 g/mol, XLogP of -2.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide is sourced from PubChem (CID 21035899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).