4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid

C18H25N3O4 — CID 122074814

IUPAC4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C18H25N3O4/c1-18(2,10-9-15(22)23)20-17(25)19-14-8-4-3-7-13(14)16(24)21-11-5-6-12-21/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,22,23)(H2,19,20,25)
InChIKeyQWZPDINJKUKQFF-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.69
Rot. Bonds6

About 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid

4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid (PubChem CID 122074814) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
PubChem CID122074814
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C18H25N3O4/c1-18(2,10-9-15(22)23)20-17(25)19-14-8-4-3-7-13(14)16(24)21-11-5-6-12-21/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,22,23)(H2,19,20,25)
InChIKeyQWZPDINJKUKQFF-UHFFFAOYSA-N
XLogP2.69
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
CID 122075475
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide
CID 99824360
4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085443
4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122090760
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid (CID 122074814) is 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid?
The InChIKey is QWZPDINJKUKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(2,10-9-15(22)23)20-17(25)19-14-8-4-3-7-13(14)16(24)21-11-5-6-12-21/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,22,23)(H2,19,20,25).
What are the key properties of 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid?
4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid has a molecular weight of 347.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122074814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).