4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid

C19H26N2O3 — CID 122007668

IUPAC4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C19H26N2O3/c22-17(23)9-8-16(12-14-4-2-1-3-5-14)21-18(24)20-13-19(10-11-19)15-6-7-15/h1-5,15-16H,6-13H2,(H,22,23)(H2,20,21,24)
InChIKeyODXUQYGNMUJAPV-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.95
Rot. Bonds9

About 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122007668) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122007668
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C19H26N2O3/c22-17(23)9-8-16(12-14-4-2-1-3-5-14)21-18(24)20-13-19(10-11-19)15-6-7-15/h1-5,15-16H,6-13H2,(H,22,23)(H2,20,21,24)
InChIKeyODXUQYGNMUJAPV-UHFFFAOYSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027630
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-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027603
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 122012389
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122007668) is 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NCC1(C2CC2)CC1.
What is the InChIKey of 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is ODXUQYGNMUJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17(23)9-8-16(12-14-4-2-1-3-5-14)21-18(24)20-13-19(10-11-19)15-6-7-15/h1-5,15-16H,6-13H2,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 330.43 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122007668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).