N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide

C12H17N3O3 — CID 106670528

IUPACN-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
SMILESNCc1ccc(NC(=O)N2CC(O)C(O)C2)cc1
InChIInChI=1S/C12H17N3O3/c13-5-8-1-3-9(4-2-8)14-12(18)15-6-10(16)11(17)7-15/h1-4,10-11,16-17H,5-7,13H2,(H,14,18)
InChIKeyRZDMPAPYRHZQQQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.29
Rot. Bonds2

About N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide

N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide (PubChem CID 106670528) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
PubChem CID106670528
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
SMILESNCc1ccc(NC(=O)N2CC(O)C(O)C2)cc1
InChIInChI=1S/C12H17N3O3/c13-5-8-1-3-9(4-2-8)14-12(18)15-6-10(16)11(17)7-15/h1-4,10-11,16-17H,5-7,13H2,(H,14,18)
InChIKeyRZDMPAPYRHZQQQ-UHFFFAOYSA-N
XLogP-0.29
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-[4-(aminomethyl)phenyl]-3,5-dioxopiperazine-1-carboxamide
CID 66061825
(1R,5S)-N-[4-(aminomethyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941166
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 61440098
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
N-[4-(aminomethyl)phenyl]-5-ethyl-2-methylmorpholine-4-carboxamide
CID 61424962
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 102884982
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide (CID 106670528) is N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide is NCc1ccc(NC(=O)N2CC(O)C(O)C2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide?
The InChIKey is RZDMPAPYRHZQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-5-8-1-3-9(4-2-8)14-12(18)15-6-10(16)11(17)7-15/h1-4,10-11,16-17H,5-7,13H2,(H,14,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide?
N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.29, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 106670528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).