4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid

C23H28N2O4 — CID 122027603

IUPAC4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCC1(CO)CC1c1ccccc1
InChIInChI=1S/C23H28N2O4/c26-16-23(14-20(23)18-9-5-2-6-10-18)15-24-22(29)25-19(11-12-21(27)28)13-17-7-3-1-4-8-17/h1-10,19-20,26H,11-16H2,(H,27,28)(H2,24,25,29)
InChIKeyMDGUIVNXUMNOLD-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.93
Rot. Bonds10

About 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid

4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122027603) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122027603
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCC1(CO)CC1c1ccccc1
InChIInChI=1S/C23H28N2O4/c26-16-23(14-20(23)18-9-5-2-6-10-18)15-24-22(29)25-19(11-12-21(27)28)13-17-7-3-1-4-8-17/h1-10,19-20,26H,11-16H2,(H,27,28)(H2,24,25,29)
InChIKeyMDGUIVNXUMNOLD-UHFFFAOYSA-N
XLogP2.93
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
4-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027630
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027955
4-[(1-methylsulfonylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122012564
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122028162
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122003736
4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122027910
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid (CID 122027603) is 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NCC1(CO)CC1c1ccccc1.
What is the InChIKey of 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is MDGUIVNXUMNOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-16-23(14-20(23)18-9-5-2-6-10-18)15-24-22(29)25-19(11-12-21(27)28)13-17-7-3-1-4-8-17/h1-10,19-20,26H,11-16H2,(H,27,28)(H2,24,25,29).
What are the key properties of 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid?
4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 396.49 g/mol, XLogP of 2.93, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).