2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid

C14H24N2O3 — CID 43468368

IUPAC2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCCN(C(=O)CNC(C(=O)O)C(C)C)C1=CCCC1
InChIInChI=1S/C14H24N2O3/c1-4-16(11-7-5-6-8-11)12(17)9-15-13(10(2)3)14(18)19/h7,10,13,15H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyPIBBNZNFIQSVHJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.60
Rot. Bonds7

About 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid

2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid (PubChem CID 43468368) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
PubChem CID43468368
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCCN(C(=O)CNC(C(=O)O)C(C)C)C1=CCCC1
InChIInChI=1S/C14H24N2O3/c1-4-16(11-7-5-6-8-11)12(17)9-15-13(10(2)3)14(18)19/h7,10,13,15H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyPIBBNZNFIQSVHJ-UHFFFAOYSA-N
XLogP1.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid (CID 43468368) is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid is CCN(C(=O)CNC(C(=O)O)C(C)C)C1=CCCC1.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The InChIKey is PIBBNZNFIQSVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-16(11-7-5-6-8-11)12(17)9-15-13(10(2)3)14(18)19/h7,10,13,15H,4-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid?
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 43468368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).