5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid

C19H28N2O4 — CID 122028242

IUPAC5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCCC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCO1
InChIInChI=1S/C19H28N2O4/c1-2-6-17-14-21(11-12-25-17)19(24)20-16(9-10-18(22)23)13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3,(H,20,24)(H,22,23)
InChIKeyNHHKDFIVNOIOQY-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.67
Rot. Bonds8

About 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid

5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 122028242) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID122028242
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCCC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCO1
InChIInChI=1S/C19H28N2O4/c1-2-6-17-14-21(11-12-25-17)19(24)20-16(9-10-18(22)23)13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3,(H,20,24)(H,22,23)
InChIKeyNHHKDFIVNOIOQY-UHFFFAOYSA-N
XLogP2.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
CID 122027734
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
4-[(2-ethyl-6-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027601
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid (CID 122028242) is 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid is CCCC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCO1.
What is the InChIKey of 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is NHHKDFIVNOIOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-6-17-14-21(11-12-25-17)19(24)20-16(9-10-18(22)23)13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid?
5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122028242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).