N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide

C14H21N3O3 — CID 106667934

IUPACN-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N1CC(O)C(O)C1
InChIInChI=1S/C14H21N3O3/c1-8-5-10(15)3-4-11(8)16-14(20)9(2)17-6-12(18)13(19)7-17/h3-5,9,12-13,18-19H,6-7,15H2,1-2H3,(H,16,20)
InChIKeyKUOSAUYNCASHLS-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.06
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide

N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide (PubChem CID 106667934) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
PubChem CID106667934
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N1CC(O)C(O)C1
InChIInChI=1S/C14H21N3O3/c1-8-5-10(15)3-4-11(8)16-14(20)9(2)17-6-12(18)13(19)7-17/h3-5,9,12-13,18-19H,6-7,15H2,1-2H3,(H,16,20)
InChIKeyKUOSAUYNCASHLS-UHFFFAOYSA-N
XLogP-0.06
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114677853
N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 43575281
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668074
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(4-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544196
N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79177188
N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide (CID 106667934) is N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide is Cc1cc(N)ccc1NC(=O)C(C)N1CC(O)C(O)C1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide?
The InChIKey is KUOSAUYNCASHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-5-10(15)3-4-11(8)16-14(20)9(2)17-6-12(18)13(19)7-17/h3-5,9,12-13,18-19H,6-7,15H2,1-2H3,(H,16,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide?
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide has a molecular weight of 279.34 g/mol, XLogP of -0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide is sourced from PubChem (CID 106667934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).