1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea

C15H22N4O2 — CID 119412031

IUPAC1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C15H22N4O2/c1-10(2)17-15(21)18-13-5-3-11(4-6-13)14(20)19-8-7-12(16)9-19/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,18,21)/t12-/m1/s1
InChIKeyYJUZDNOOPWBIGK-GFCCVEGCSA-N
MW290.37 g/mol
LogP1.39
Rot. Bonds3

About 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea

1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 119412031) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID119412031
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C15H22N4O2/c1-10(2)17-15(21)18-13-5-3-11(4-6-13)14(20)19-8-7-12(16)9-19/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,18,21)/t12-/m1/s1
InChIKeyYJUZDNOOPWBIGK-GFCCVEGCSA-N
XLogP1.39
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
CID 120814203
2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 119178659
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
1-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-propan-2-ylurea
CID 120657026
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea
CID 129479867
1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119411142
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120746328
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 119413263
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea (CID 119412031) is 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(C(=O)N2CC[C@@H](N)C2)cc1.
What is the InChIKey of 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is YJUZDNOOPWBIGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)17-15(21)18-13-5-3-11(4-6-13)14(20)19-8-7-12(16)9-19/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,18,21)/t12-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 290.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 119412031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).