4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid

C22H30N2O4 — CID 122027524

IUPAC4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CC2(CCOCC2)C1C1CC1
InChIInChI=1S/C22H30N2O4/c25-19(26)9-8-18(14-16-4-2-1-3-5-16)23-21(27)24-15-22(10-12-28-13-11-22)20(24)17-6-7-17/h1-5,17-18,20H,6-15H2,(H,23,27)(H,25,26)
InChIKeyLINLGPGCHCBRGU-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.06
Rot. Bonds7

About 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid

4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 122027524) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID122027524
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CC2(CCOCC2)C1C1CC1
InChIInChI=1S/C22H30N2O4/c25-19(26)9-8-18(14-16-4-2-1-3-5-16)23-21(27)24-15-22(10-12-28-13-11-22)20(24)17-6-7-17/h1-5,17-18,20H,6-15H2,(H,23,27)(H,25,26)
InChIKeyLINLGPGCHCBRGU-UHFFFAOYSA-N
XLogP3.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027630
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028122
4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028373
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027848
4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
CID 122028366
4-[[3-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027435
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid (CID 122027524) is 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CC2(CCOCC2)C1C1CC1.
What is the InChIKey of 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is LINLGPGCHCBRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c25-19(26)9-8-18(14-16-4-2-1-3-5-16)23-21(27)24-15-22(10-12-28-13-11-22)20(24)17-6-7-17/h1-5,17-18,20H,6-15H2,(H,23,27)(H,25,26).
What are the key properties of 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid?
4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 386.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).