2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide

C9H15N3O — CID 79101494

IUPAC2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide
SMILESCC(C)NCC(=O)Nn1cccc1
InChIInChI=1S/C9H15N3O/c1-8(2)10-7-9(13)11-12-5-3-4-6-12/h3-6,8,10H,7H2,1-2H3,(H,11,13)
InChIKeyMWYRPEWDYZULRY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.56
Rot. Bonds4

About 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide

2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide (PubChem CID 79101494) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide
PubChem CID79101494
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide
SMILESCC(C)NCC(=O)Nn1cccc1
InChIInChI=1S/C9H15N3O/c1-8(2)10-7-9(13)11-12-5-3-4-6-12/h3-6,8,10H,7H2,1-2H3,(H,11,13)
InChIKeyMWYRPEWDYZULRY-UHFFFAOYSA-N
XLogP0.56
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide
CID 79101182
2-bromo-N-pyrrol-1-ylpropanamide
CID 107905429
N-morpholin-4-yl-2-(propan-2-ylamino)acetamide
CID 83016590
3-oxo-N-pyrrol-1-ylpropanamide
CID 175709956
N-(1-hydroxypropan-2-yl)-2-(propan-2-ylamino)acetamide
CID 60841467
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
2-amino-N-pyrrol-1-ylpropanamide
CID 19973193
4-(methylamino)-N-pyrrol-1-ylbutanamide
CID 79100656
3-(ethylamino)-N-pyrrol-1-ylpropanamide
CID 79100027
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
CID 61157730
(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide
CID 79100766

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide (CID 79101494) is 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide is CC(C)NCC(=O)Nn1cccc1.
What is the InChIKey of 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide?
The InChIKey is MWYRPEWDYZULRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(2)10-7-9(13)11-12-5-3-4-6-12/h3-6,8,10H,7H2,1-2H3,(H,11,13).
What are the key properties of 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide?
2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide has a molecular weight of 181.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 79101494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).