3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide

C5H11N5O2 — CID 123374487

IUPAC3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide
SMILES[H]/N=C(\N)C(NCC(N)=O)C(N)=O
InChIInChI=1S/C5H11N5O2/c6-2(11)1-10-3(4(7)8)5(9)12/h3,10H,1H2,(H2,6,11)(H3,7,8)(H2,9,12)
InChIKeyCPQXKQLPRDUKJE-UHFFFAOYSA-N
MW173.18 g/mol
LogP-3.15
Rot. Bonds5

About 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide

3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide (PubChem CID 123374487) has the molecular formula C5H11N5O2 and a molecular weight of 173.18 g/mol. Its IUPAC name is 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide.

Molecular Properties

Compound Name3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide
PubChem CID123374487
Molecular FormulaC5H11N5O2
Molecular Weight173.18 g/mol
Exact Mass173.09
IUPAC Name3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide
SMILES[H]/N=C(\N)C(NCC(N)=O)C(N)=O
InChIInChI=1S/C5H11N5O2/c6-2(11)1-10-3(4(7)8)5(9)12/h3,10H,1H2,(H2,6,11)(H3,7,8)(H2,9,12)
InChIKeyCPQXKQLPRDUKJE-UHFFFAOYSA-N
XLogP-3.15
TPSA148.08 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 5-3.15
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
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
2,3-diamino-3-imino-N-methylpropanamide
CID 123527174
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
CID 123532737
2-[(1-Amino-1-iminopropan-2-yl)amino]acetamide
CID 123994136
(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide
CID 43545817
2-[(3-Amino-3-hydroxyiminopropyl)amino]propanamide
CID 77029017
2-[(1-Amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029843
2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide
CID 141396646

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide?
The IUPAC name of 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide (CID 123374487) is 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide.
What is the SMILES notation for 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide?
The canonical SMILES for 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide is [H]/N=C(\N)C(NCC(N)=O)C(N)=O.
What is the InChIKey of 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide?
The InChIKey is CPQXKQLPRDUKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2/c6-2(11)1-10-3(4(7)8)5(9)12/h3,10H,1H2,(H2,6,11)(H3,7,8)(H2,9,12).
What are the key properties of 3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide?
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide has a molecular weight of 173.18 g/mol, XLogP of -3.15, 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-iminopropanamide is sourced from PubChem (CID 123374487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).