4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid

C18H25N3O5 — CID 122006538

IUPAC4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESNC(=O)C1CCC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)O1
InChIInChI=1S/C18H25N3O5/c19-17(24)15-8-7-14(26-15)11-20-18(25)21-13(6-9-16(22)23)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H2,19,24)(H,22,23)(H2,20,21,25)
InChIKeyYPZNQNVCFWYEQQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.79
Rot. Bonds9

About 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122006538) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122006538
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESNC(=O)C1CCC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)O1
InChIInChI=1S/C18H25N3O5/c19-17(24)15-8-7-14(26-15)11-20-18(25)21-13(6-9-16(22)23)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H2,19,24)(H,22,23)(H2,20,21,25)
InChIKeyYPZNQNVCFWYEQQ-UHFFFAOYSA-N
XLogP0.79
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122013689
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 122012389
4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027630
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122006538) is 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid is NC(=O)C1CCC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)O1.
What is the InChIKey of 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is YPZNQNVCFWYEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c19-17(24)15-8-7-14(26-15)11-20-18(25)21-13(6-9-16(22)23)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H2,19,24)(H,22,23)(H2,20,21,25).
What are the key properties of 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 363.41 g/mol, XLogP of 0.79, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122006538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).