2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

C19H35N3O4 — CID 143157350

IUPAC2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC)CCCCNC(=O)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C19H35N3O4/c1-3-22(4-2)12-8-7-11-20-17(24)15-21-16(23)13-19(14-18(25)26)9-5-6-10-19/h3-15H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)
InChIKeyIRPLNFQFGVPOBC-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.77
Rot. Bonds13

About 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 143157350) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID143157350
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC)CCCCNC(=O)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C19H35N3O4/c1-3-22(4-2)12-8-7-11-20-17(24)15-21-16(23)13-19(14-18(25)26)9-5-6-10-19/h3-15H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)
InChIKeyIRPLNFQFGVPOBC-UHFFFAOYSA-N
XLogP1.77
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 143157350) is 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is CCN(CC)CCCCNC(=O)CNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is IRPLNFQFGVPOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-3-22(4-2)12-8-7-11-20-17(24)15-21-16(23)13-19(14-18(25)26)9-5-6-10-19/h3-15H2,1-2H3,(H,20,24)(H,21,23)(H,25,26).
What are the key properties of 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 369.51 g/mol, XLogP of 1.77, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 143157350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).