N-(1-amino-1-iminopropan-2-yl)acetamide

C5H11N3O — CID 172748430

IUPACN-(1-amino-1-iminopropan-2-yl)acetamide
SMILES[H]/N=C(\N)C(C)NC(C)=O
InChIInChI=1S/C5H11N3O/c1-3(5(6)7)8-4(2)9/h3H,1-2H3,(H3,6,7)(H,8,9)
InChIKeyKAQJTXUXLHCTCH-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.55
Rot. Bonds2

About N-(1-amino-1-iminopropan-2-yl)acetamide

N-(1-amino-1-iminopropan-2-yl)acetamide (PubChem CID 172748430) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(1-amino-1-iminopropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-iminopropan-2-yl)acetamide
PubChem CID172748430
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN-(1-amino-1-iminopropan-2-yl)acetamide
SMILES[H]/N=C(\N)C(C)NC(C)=O
InChIInChI=1S/C5H11N3O/c1-3(5(6)7)8-4(2)9/h3H,1-2H3,(H3,6,7)(H,8,9)
InChIKeyKAQJTXUXLHCTCH-UHFFFAOYSA-N
XLogP-0.55
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

methyl (2R)-2-acetamidopropanoate
CID 6951031
2-methylpropanimidamide;hydrochloride
CID 2782053
(2R)-2-methoxypropanimidamide
CID 11768515
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid
CID 118525619
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
ethanimidamide;propan-2-one;vanadium
CID 159949516
ethanimidamide;propan-2-one;titanium
CID 158445220
(2S)-2-acetamidopropanoyl iodide
CID 126569176
(2S)-2-acetamidopropanoate
CID 6926438
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-iminopropan-2-yl)acetamide?
The IUPAC name of N-(1-amino-1-iminopropan-2-yl)acetamide (CID 172748430) is N-(1-amino-1-iminopropan-2-yl)acetamide.
What is the SMILES notation for N-(1-amino-1-iminopropan-2-yl)acetamide?
The canonical SMILES for N-(1-amino-1-iminopropan-2-yl)acetamide is [H]/N=C(\N)C(C)NC(C)=O.
What is the InChIKey of N-(1-amino-1-iminopropan-2-yl)acetamide?
The InChIKey is KAQJTXUXLHCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3(5(6)7)8-4(2)9/h3H,1-2H3,(H3,6,7)(H,8,9).
What are the key properties of N-(1-amino-1-iminopropan-2-yl)acetamide?
N-(1-amino-1-iminopropan-2-yl)acetamide has a molecular weight of 129.16 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-iminopropan-2-yl)acetamide is sourced from PubChem (CID 172748430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).