(4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide

C7H13N3O2 — CID 166779179

IUPAC(4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1C[C@@H](O)CN1C(C)=O
InChIInChI=1S/C7H13N3O2/c1-4(11)10-3-5(12)2-6(10)7(8)9/h5-6,12H,2-3H2,1H3,(H3,8,9)/t5-,6?/m1/s1
InChIKeyMCLDWPBEOFWXKX-LWOQYNTDSA-N
MW171.20 g/mol
LogP-1.10
Rot. Bonds1

About (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide

(4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide (PubChem CID 166779179) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name(4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide
PubChem CID166779179
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1C[C@@H](O)CN1C(C)=O
InChIInChI=1S/C7H13N3O2/c1-4(11)10-3-5(12)2-6(10)7(8)9/h5-6,12H,2-3H2,1H3,(H3,8,9)/t5-,6?/m1/s1
InChIKeyMCLDWPBEOFWXKX-LWOQYNTDSA-N
XLogP-1.10
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(2S,4R)-1-acetyl-N'-(ethylamino)-4-hydroxypyrrolidine-2-carboximidamide
CID 172920503
1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 177028160
Tert-butyl 2-carbamimidoyl-4-hydroxypyrrolidine-1-carboxylate
CID 61431006
5-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanimidamide
CID 66054429
2-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide
CID 66054629
4-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide
CID 66056404
2-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide
CID 66057202
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide
CID 77111556
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 77111560

Frequently Asked Questions

What is the IUPAC name of (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide (CID 166779179) is (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide is [H]/N=C(\N)C1C[C@@H](O)CN1C(C)=O.
What is the InChIKey of (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is MCLDWPBEOFWXKX-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4(11)10-3-5(12)2-6(10)7(8)9/h5-6,12H,2-3H2,1H3,(H3,8,9)/t5-,6?/m1/s1.
What are the key properties of (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide?
(4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 171.20 g/mol, XLogP of -1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-acetyl-4-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 166779179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).