N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide

C4H11N3O2 — CID 88907606

IUPACN-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide
SMILESCC(C(N)O)N(N)C=O
InChIInChI=1S/C4H11N3O2/c1-3(4(5)9)7(6)2-8/h2-4,9H,5-6H2,1H3
InChIKeyGQOKIIQZBRHALP-UHFFFAOYSA-N
MW133.15 g/mol
LogP-2.02
Rot. Bonds3

About N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide

N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide (PubChem CID 88907606) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide.

Molecular Properties

Compound NameN-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide
PubChem CID88907606
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC NameN-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide
SMILESCC(C(N)O)N(N)C=O
InChIInChI=1S/C4H11N3O2/c1-3(4(5)9)7(6)2-8/h2-4,9H,5-6H2,1H3
InChIKeyGQOKIIQZBRHALP-UHFFFAOYSA-N
XLogP-2.02
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(dimethylamino)propan-1-ol
CID 91024973
N-(1-hydroxyethyl)-N-propan-2-ylformamide
CID 173056089
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
(2S,3R,4S,5R)-2-amino-3,4,5-trihydroxyhexanal
CID 5460919
(2S,3R,4R)-2-amino-3,4,5-trihydroxyhexanal
CID 131227229
1-aminoethanol;dihydrate
CID 174522772
1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid
CID 174691520
formic acid;1-methoxyethanamine
CID 87579928
(2R)-2-[amino(methyl)amino]propanal
CID 88863582
(2S,3R,4S,5R)-3-amino-2,4,5-trihydroxyhexanal
CID 12895615
acetic acid;1-aminoethanol
CID 87647185
(2S)-2-amino-1-deuteriopropan-1-one
CID 57165774

Frequently Asked Questions

What is the IUPAC name of N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide?
The IUPAC name of N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide (CID 88907606) is N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide.
What is the SMILES notation for N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide?
The canonical SMILES for N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide is CC(C(N)O)N(N)C=O.
What is the InChIKey of N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide?
The InChIKey is GQOKIIQZBRHALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2/c1-3(4(5)9)7(6)2-8/h2-4,9H,5-6H2,1H3.
What are the key properties of N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide?
N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide has a molecular weight of 133.15 g/mol, XLogP of -2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide is sourced from PubChem (CID 88907606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).