(3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid

C11H21N3O3 — CID 134594521

IUPAC(3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid
SMILESCCCC[C@H]1CN(C(=O)CN)C[C@@]1(N)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-2-3-4-8-6-14(9(15)5-12)7-11(8,13)10(16)17/h8H,2-7,12-13H2,1H3,(H,16,17)/t8-,11-/m0/s1
InChIKeyTZUYNBVOTMUZTA-KWQFWETISA-N
MW243.31 g/mol
LogP-0.62
Rot. Bonds5

About (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid

(3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid (PubChem CID 134594521) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid
PubChem CID134594521
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid
SMILESCCCC[C@H]1CN(C(=O)CN)C[C@@]1(N)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-2-3-4-8-6-14(9(15)5-12)7-11(8,13)10(16)17/h8H,2-7,12-13H2,1H3,(H,16,17)/t8-,11-/m0/s1
InChIKeyTZUYNBVOTMUZTA-KWQFWETISA-N
XLogP-0.62
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid (CID 134594521) is (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid is CCCC[C@H]1CN(C(=O)CN)C[C@@]1(N)C(=O)O.
What is the InChIKey of (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid?
The InChIKey is TZUYNBVOTMUZTA-KWQFWETISA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-3-4-8-6-14(9(15)5-12)7-11(8,13)10(16)17/h8H,2-7,12-13H2,1H3,(H,16,17)/t8-,11-/m0/s1.
What are the key properties of (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid?
(3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-(2-aminoacetyl)-4-butylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 134594521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).