(2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate

C17H28N2O5 — CID 54016281

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate
SMILESCCN(C(=O)CC(CC(C)C)C(=O)On1c(O)ccc1O)C(C)C
InChIInChI=1S/C17H28N2O5/c1-6-18(12(4)5)16(22)10-13(9-11(2)3)17(23)24-19-14(20)7-8-15(19)21/h7-8,11-13,20-21H,6,9-10H2,1-5H3
InChIKeyKVVVZDIQYZKDBP-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.16
Rot. Bonds8

About (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate

(2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate (PubChem CID 54016281) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate
PubChem CID54016281
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate
SMILESCCN(C(=O)CC(CC(C)C)C(=O)On1c(O)ccc1O)C(C)C
InChIInChI=1S/C17H28N2O5/c1-6-18(12(4)5)16(22)10-13(9-11(2)3)17(23)24-19-14(20)7-8-15(19)21/h7-8,11-13,20-21H,6,9-10H2,1-5H3
InChIKeyKVVVZDIQYZKDBP-UHFFFAOYSA-N
XLogP2.16
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate 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

(2,5-dihydroxypyrrol-1-yl) (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 57250912
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
bis(2,5-dihydroxypyrrol-1-yl) 2,3,4,5-tetra(propanoyloxy)hexanedioate
CID 123479617
diethyl (2S)-2-(2-methylpropyl)butanedioate
CID 102063986
(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate
CID 123604144
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
7-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl heptanedioate
CID 123764437
dipropyl 2,6-bis(2-methylpropyl)-4-oxoheptanedioate
CID 90839477
(2,5-dihydroxypyrrol-1-yl) 4,4-bis(diethoxyphosphoryl)butanoate
CID 91315995
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate (CID 54016281) is (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate is CCN(C(=O)CC(CC(C)C)C(=O)On1c(O)ccc1O)C(C)C.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate?
The InChIKey is KVVVZDIQYZKDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-6-18(12(4)5)16(22)10-13(9-11(2)3)17(23)24-19-14(20)7-8-15(19)21/h7-8,11-13,20-21H,6,9-10H2,1-5H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate?
(2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate has a molecular weight of 340.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate is sourced from PubChem (CID 54016281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).