(2S)-2-anilino-3-oxopropanimidamide

C9H11N3O — CID 91475608

IUPAC(2S)-2-anilino-3-oxopropanimidamide
SMILES[H]/N=C(\N)[C@@H](C=O)Nc1ccccc1
InChIInChI=1S/C9H11N3O/c10-9(11)8(6-13)12-7-4-2-1-3-5-7/h1-6,8,12H,(H3,10,11)/t8-/m1/s1
InChIKeyYDDPWUTUCDXEQR-MRVPVSSYSA-N
MW177.21 g/mol
LogP0.60
Rot. Bonds4

About (2S)-2-anilino-3-oxopropanimidamide

(2S)-2-anilino-3-oxopropanimidamide (PubChem CID 91475608) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (2S)-2-anilino-3-oxopropanimidamide.

Molecular Properties

Compound Name(2S)-2-anilino-3-oxopropanimidamide
PubChem CID91475608
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(2S)-2-anilino-3-oxopropanimidamide
SMILES[H]/N=C(\N)[C@@H](C=O)Nc1ccccc1
InChIInChI=1S/C9H11N3O/c10-9(11)8(6-13)12-7-4-2-1-3-5-7/h1-6,8,12H,(H3,10,11)/t8-/m1/s1
InChIKeyYDDPWUTUCDXEQR-MRVPVSSYSA-N
XLogP0.60
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

S-carbamimidoyl N-phenylcarbamothioate
CID 87475883
2,2-diphenylethanimidamide;dihydrochloride
CID 172782287
2-amino-2-anilinoacetamide
CID 69372465
3-anilino-2-phenylbutanal
CID 155933998
(E)-3-anilino-2-carbamimidoylprop-2-enoic acid
CID 136600263
1-anilino-3-imino-2-methylpropan-1-ol
CID 163682971
3-amino-3-anilinopropanal
CID 57291252
methyl 2-anilinopropanoate
CID 3417283
N',N"-diphenylmethanetriamine
CID 89357309
4-anilino-3-formyl-4-sulfanylbutanehydrazide
CID 174556107
2-anilino-2-phenylacetamide;ethane
CID 142824395
2-anilino-3,3-dimethylbutanamide
CID 61324562

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-3-oxopropanimidamide?
The IUPAC name of (2S)-2-anilino-3-oxopropanimidamide (CID 91475608) is (2S)-2-anilino-3-oxopropanimidamide.
What is the SMILES notation for (2S)-2-anilino-3-oxopropanimidamide?
The canonical SMILES for (2S)-2-anilino-3-oxopropanimidamide is [H]/N=C(\N)[C@@H](C=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-anilino-3-oxopropanimidamide?
The InChIKey is YDDPWUTUCDXEQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-9(11)8(6-13)12-7-4-2-1-3-5-7/h1-6,8,12H,(H3,10,11)/t8-/m1/s1.
What are the key properties of (2S)-2-anilino-3-oxopropanimidamide?
(2S)-2-anilino-3-oxopropanimidamide has a molecular weight of 177.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-3-oxopropanimidamide is sourced from PubChem (CID 91475608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).