(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid

C10H20N2O2 — CID 66578004

IUPAC(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)N1CC[C@H](CN)C1C(=O)O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-5-4-7(6-11)8(12)9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14)/t7-,8?/m1/s1
InChIKeyWPFYPVDBRPKBGB-GVHYBUMESA-N
MW200.28 g/mol
LogP0.52
Rot. Bonds2

About (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid

(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid (PubChem CID 66578004) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid
PubChem CID66578004
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)N1CC[C@H](CN)C1C(=O)O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-5-4-7(6-11)8(12)9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14)/t7-,8?/m1/s1
InChIKeyWPFYPVDBRPKBGB-GVHYBUMESA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 168908245
butyl (2R)-1-tert-butyl-3-hydroxypyrrolidine-2-carboxylate
CID 69001506
(2S,3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 54475314
(2S,3R)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86326501
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
CID 117021966
(2R,3S)-3-(2-cyclopropylethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 129463329
4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid
CID 66820004
3-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 77132791
4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid
CID 66820432
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid?
The IUPAC name of (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid (CID 66578004) is (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid is CC(C)(C)N1CC[C@H](CN)C1C(=O)O.
What is the InChIKey of (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid?
The InChIKey is WPFYPVDBRPKBGB-GVHYBUMESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)12-5-4-7(6-11)8(12)9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14)/t7-,8?/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid?
(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66578004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).