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

2,5-dioxohexane-1,1,6,6-tetracarboximidamide
CID 87475133
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
(3-amino-2-carbamimidoyl-3-iminopropyl)carbamic acid
CID 141220669
2-[(3-amino-3-imino-2-methylpropyl)amino]acetic acid
CID 150861077
(2R)-2-methoxypropanimidamide
CID 11768515
2-methylpropanimidamide;hydrochloride
CID 2782053
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
3-amino-3-imino-2-methoxypropanoic acid
CID 87737958
2,3,4-triamino-4-iminobutanoic acid
CID 89049146
2-[4-(methylamino)butan-2-ylamino]acetamide
CID 87765136
3-amino-2-[[(3-amino-2-carboxy-3-iminopropyl)diazenyl]methyl]-3-iminopropanoic acid;hydrochloride
CID 87498740

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).