3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride

C14H21ClN4O2 — CID 119412176

IUPAC3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
SMILESCN(C)C(=O)Nc1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-17(2)14(20)16-12-5-3-4-10(8-12)13(19)18-7-6-11(15)9-18;/h3-5,8,11H,6-7,9,15H2,1-2H3,(H,16,20);1H/t11-;/m1./s1
InChIKeyUAAXKKSOCVPWMK-RFVHGSKJSA-N
MW312.80 g/mol
LogP1.38
Rot. Bonds2

About 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride

3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride (PubChem CID 119412176) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride.

Molecular Properties

Compound Name3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
PubChem CID119412176
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
SMILESCN(C)C(=O)Nc1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-17(2)14(20)16-12-5-3-4-10(8-12)13(19)18-7-6-11(15)9-18;/h3-5,8,11H,6-7,9,15H2,1-2H3,(H,16,20);1H/t11-;/m1./s1
InChIKeyUAAXKKSOCVPWMK-RFVHGSKJSA-N
XLogP1.38
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 119545663
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
CID 119633495
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119411388
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119410677
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119412500
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119412713
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119381577
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
[(3R)-3-aminopyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119413252
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride?
The IUPAC name of 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride (CID 119412176) is 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride.
What is the SMILES notation for 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride?
The canonical SMILES for 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride is CN(C)C(=O)Nc1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl.
What is the InChIKey of 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride?
The InChIKey is UAAXKKSOCVPWMK-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/c1-17(2)14(20)16-12-5-3-4-10(8-12)13(19)18-7-6-11(15)9-18;/h3-5,8,11H,6-7,9,15H2,1-2H3,(H,16,20);1H/t11-;/m1./s1.
What are the key properties of 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride?
3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride is sourced from PubChem (CID 119412176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).