3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide

C6H13N5O2 — CID 123166598

IUPAC3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)C(NCC(N)=O)C(=O)NC
InChIInChI=1S/C6H13N5O2/c1-10-6(13)4(5(8)9)11-2-3(7)12/h4,11H,2H2,1H3,(H2,7,12)(H3,8,9)(H,10,13)
InChIKeyMBTKQSIVMWTZLS-UHFFFAOYSA-N
MW187.20 g/mol
LogP-2.89
Rot. Bonds5

About 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide

3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide (PubChem CID 123166598) has the molecular formula C6H13N5O2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
PubChem CID123166598
Molecular FormulaC6H13N5O2
Molecular Weight187.20 g/mol
Exact Mass187.11
IUPAC Name3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)C(NCC(N)=O)C(=O)NC
InChIInChI=1S/C6H13N5O2/c1-10-6(13)4(5(8)9)11-2-3(7)12/h4,11H,2H2,1H3,(H2,7,12)(H3,8,9)(H,10,13)
InChIKeyMBTKQSIVMWTZLS-UHFFFAOYSA-N
XLogP-2.89
TPSA134.09 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-2.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

3-Amino-2-(formylamino)-3-iminopropanamide
CID 44719376
2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide
CID 59872363
3-amino-3-imino-N-propan-2-ylpropanamide
CID 99990041
3-Amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide
CID 123374487
2,3-diamino-3-imino-N-methylpropanamide
CID 123527174
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
CID 123532737
6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
CID 123586413
3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide
CID 123873218
2-[(1-Amino-1-iminopropan-2-yl)amino]acetamide
CID 123994136
2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride
CID 141396645
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43374368
(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide
CID 43545817

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide?
The IUPAC name of 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide (CID 123166598) is 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide.
What is the SMILES notation for 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide?
The canonical SMILES for 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide is [H]/N=C(\N)C(NCC(N)=O)C(=O)NC.
What is the InChIKey of 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide?
The InChIKey is MBTKQSIVMWTZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2/c1-10-6(13)4(5(8)9)11-2-3(7)12/h4,11H,2H2,1H3,(H2,7,12)(H3,8,9)(H,10,13).
What are the key properties of 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide?
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide has a molecular weight of 187.20 g/mol, XLogP of -2.89, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide is sourced from PubChem (CID 123166598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).