5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid

C19H27N3O4 — CID 122006817

IUPAC5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCC(=O)N1CCC(NC(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O4/c1-2-17(23)22-11-10-16(13-22)21-19(26)20-15(8-9-18(24)25)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,24,25)(H2,20,21,26)
InChIKeyZZNDTYQCSRHSHR-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.77
Rot. Bonds8

About 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid

5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 122006817) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID122006817
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCC(=O)N1CCC(NC(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O4/c1-2-17(23)22-11-10-16(13-22)21-19(26)20-15(8-9-18(24)25)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,24,25)(H2,20,21,26)
InChIKeyZZNDTYQCSRHSHR-UHFFFAOYSA-N
XLogP1.77
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]-5-phenylpentanoic acid
CID 122016121
4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
5-phenyl-4-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoylamino]pentanoic acid
CID 122009464
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid (CID 122006817) is 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid is CCC(=O)N1CCC(NC(=O)NC(CCC(=O)O)Cc2ccccc2)C1.
What is the InChIKey of 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is ZZNDTYQCSRHSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-17(23)22-11-10-16(13-22)21-19(26)20-15(8-9-18(24)25)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,24,25)(H2,20,21,26).
What are the key properties of 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 361.44 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 122006817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).