4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid

C19H27N3O4 — CID 122028386

IUPAC4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC(C)C1C(=O)NCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H27N3O4/c1-13(2)17-18(25)20-10-11-22(17)19(26)21-15(8-9-16(23)24)12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)
InChIKeyRANJICXQOZFULV-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.63
Rot. Bonds7

About 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid

4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 122028386) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID122028386
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC(C)C1C(=O)NCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H27N3O4/c1-13(2)17-18(25)20-10-11-22(17)19(26)21-15(8-9-16(23)24)12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)
InChIKeyRANJICXQOZFULV-UHFFFAOYSA-N
XLogP1.63
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027113
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508
4-[[2-[2-(ethylamino)-2-oxoethyl]piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027859
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028122
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027495
4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027848
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-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid (CID 122028386) is 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid is CC(C)C1C(=O)NCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is RANJICXQOZFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(2)17-18(25)20-10-11-22(17)19(26)21-15(8-9-16(23)24)12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24).
What are the key properties of 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid?
4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 361.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).