(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide

C8H15N3O — CID 10511338

IUPAC(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC1=NCCC1
InChIInChI=1S/C8H15N3O/c1-6(8(12)9-2)11-7-4-3-5-10-7/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1
InChIKeyKFUMJFUGRPZNAQ-ZCFIWIBFSA-N
MW169.23 g/mol
LogP-0.10
Rot. Bonds2

About (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide

(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide (PubChem CID 10511338) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide
PubChem CID10511338
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC1=NCCC1
InChIInChI=1S/C8H15N3O/c1-6(8(12)9-2)11-7-4-3-5-10-7/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1
InChIKeyKFUMJFUGRPZNAQ-ZCFIWIBFSA-N
XLogP-0.10
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide?
The IUPAC name of (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide (CID 10511338) is (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide?
The canonical SMILES for (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide is CNC(=O)[C@@H](C)NC1=NCCC1.
What is the InChIKey of (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide?
The InChIKey is KFUMJFUGRPZNAQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(8(12)9-2)11-7-4-3-5-10-7/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide?
(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide has a molecular weight of 169.23 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide is sourced from PubChem (CID 10511338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).