(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid

C11H20N2O3 — CID 103869971

IUPAC(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CC1CCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-4-9(11(15)16)13-10(14)7-8-5-3-6-12-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyMBYUGZPUKCKLCM-YGPZHTELSA-N
MW228.29 g/mol
LogP0.50
Rot. Bonds6

About (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid

(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid (PubChem CID 103869971) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid
PubChem CID103869971
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CC1CCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-4-9(11(15)16)13-10(14)7-8-5-3-6-12-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyMBYUGZPUKCKLCM-YGPZHTELSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid (CID 103869971) is (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid is CCC[C@@H](NC(=O)CC1CCCN1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid?
The InChIKey is MBYUGZPUKCKLCM-YGPZHTELSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-4-9(11(15)16)13-10(14)7-8-5-3-6-12-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid?
(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 103869971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).