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

C10H20N6O3 — CID 21035897

IUPAC3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide
SMILESCNCC(=O)NC(CN=C(N)N)C(=O)NCC(C)=O
InChIInChI=1S/C10H20N6O3/c1-6(17)3-14-9(19)7(4-15-10(11)12)16-8(18)5-13-2/h7,13H,3-5H2,1-2H3,(H,14,19)(H,16,18)(H4,11,12,15)
InChIKeyJKFQJJVZWYNSLH-UHFFFAOYSA-N
MW272.31 g/mol
LogP-3.33
Rot. Bonds8

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

3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide (PubChem CID 21035897) has the molecular formula C10H20N6O3 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide.

Molecular Properties

Compound Name3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide
PubChem CID21035897
Molecular FormulaC10H20N6O3
Molecular Weight272.31 g/mol
Exact Mass272.16
IUPAC Name3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide
SMILESCNCC(=O)NC(CN=C(N)N)C(=O)NCC(C)=O
InChIInChI=1S/C10H20N6O3/c1-6(17)3-14-9(19)7(4-15-10(11)12)16-8(18)5-13-2/h7,13H,3-5H2,1-2H3,(H,14,19)(H,16,18)(H4,11,12,15)
InChIKeyJKFQJJVZWYNSLH-UHFFFAOYSA-N
XLogP-3.33
TPSA151.70 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-3.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]acetamide
CID 137349924
Me-Ala-Ala-Ala-Ala-Me
CID 134864387
N-[2-(butoxysulfinylamino)-3-oxobutyl]-3-[[2-(diaminomethylideneamino)acetyl]amino]propanamide
CID 20579675
N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide
CID 20603418
3-amino-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide
CID 21035899
3-amino-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
CID 53811867
[3-Amino-1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-methylazanium
CID 53811868
[3-Amino-1-[(1-amino-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-methylazanium
CID 53869325
Me-DL-Dap(iPr)-DL-Dap(iPr)-Me
CID 53898019
[1-[(1-Amino-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-methylazanium
CID 53924666
3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
CID 54374416
3-(diaminomethylideneamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
CID 54445418

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide?
The IUPAC name of 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide (CID 21035897) is 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide.
What is the SMILES notation for 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide?
The canonical SMILES for 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide is CNCC(=O)NC(CN=C(N)N)C(=O)NCC(C)=O.
What is the InChIKey of 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide?
The InChIKey is JKFQJJVZWYNSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O3/c1-6(17)3-14-9(19)7(4-15-10(11)12)16-8(18)5-13-2/h7,13H,3-5H2,1-2H3,(H,14,19)(H,16,18)(H4,11,12,15).
What are the key properties of 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide?
3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide has a molecular weight of 272.31 g/mol, XLogP of -3.33, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide is sourced from PubChem (CID 21035897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).