(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid

C8H16N2O2 — CID 130762276

IUPAC(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CNC[C@H]1N
InChIInChI=1S/C8H16N2O2/c1-2-3-8(7(11)12)5-10-4-6(8)9/h6,10H,2-5,9H2,1H3,(H,11,12)/t6-,8+/m1/s1
InChIKeyMFAPKVJEHLSWBS-SVRRBLITSA-N
MW172.23 g/mol
LogP-0.21
Rot. Bonds3

About (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid

(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 130762276) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid
PubChem CID130762276
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CNC[C@H]1N
InChIInChI=1S/C8H16N2O2/c1-2-3-8(7(11)12)5-10-4-6(8)9/h6,10H,2-5,9H2,1H3,(H,11,12)/t6-,8+/m1/s1
InChIKeyMFAPKVJEHLSWBS-SVRRBLITSA-N
XLogP-0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dipropylpyrrolidin-3-amine
CID 165454164
trans-(1S,2R)-2-[(S)-amino(carboxy)methyl]-1-propylcyclopropane-1-carboxylic acid;hydrochloride
CID 71662085
4,4-diethylpyrrolidin-3-amine
CID 149278511
4-N,3-dibutylpyrrolidine-3,4-dicarboxamide
CID 159070623
(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride
CID 178134265
(3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-ethylpiperidine-4-carboxylic acid
CID 97305809
1-propylcyclohexane-1,2-dicarboxylic acid
CID 18175920
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
3-ethyl-5-methylpiperidine-3-carboxylic acid
CID 130899276
2-ethyl-1-hexadecylcyclopropane-1-carboxylic acid
CID 57080968
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125584
4,4-diethylpyrrolidine-3-carboxylic acid
CID 63939611

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid (CID 130762276) is (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid is CCC[C@]1(C(=O)O)CNC[C@H]1N.
What is the InChIKey of (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is MFAPKVJEHLSWBS-SVRRBLITSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-8(7(11)12)5-10-4-6(8)9/h6,10H,2-5,9H2,1H3,(H,11,12)/t6-,8+/m1/s1.
What are the key properties of (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid?
(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 130762276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).