(2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid

C10H20N2O2 — CID 153456103

IUPAC(2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid
SMILESCC(C)(C)[C@@H]1CCC([C@H](N)C(=O)O)N1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)7-5-4-6(12-7)8(11)9(13)14/h6-8,12H,4-5,11H2,1-3H3,(H,13,14)/t6?,7-,8-/m0/s1
InChIKeyICVFOLBNOUCHDU-ALKRTJFJSA-N
MW200.28 g/mol
LogP0.56
Rot. Bonds2

About (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid

(2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid (PubChem CID 153456103) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid
PubChem CID153456103
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid
SMILESCC(C)(C)[C@@H]1CCC([C@H](N)C(=O)O)N1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)7-5-4-6(12-7)8(11)9(13)14/h6-8,12H,4-5,11H2,1-3H3,(H,13,14)/t6?,7-,8-/m0/s1
InChIKeyICVFOLBNOUCHDU-ALKRTJFJSA-N
XLogP0.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[(2R)-piperidin-2-yl]acetic acid
CID 15869910
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
2-amino-2-(3-tert-butylcyclohexyl)acetic acid
CID 90418156
3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid
CID 55291796
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
CID 58242042
2-amino-2-(2-methylcyclopentyl)acetic acid
CID 4308805
(2R)-2-amino-N-tert-butyl-2-cyclopropylacetamide
CID 135219031
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
1-amino-1-cyclopropylpropan-2-one
CID 54079114
2-amino-2-hydroxyacetic acid;methylcyclopropane
CID 67301072
2-amino-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetic acid
CID 57096388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid (CID 153456103) is (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid is CC(C)(C)[C@@H]1CCC([C@H](N)C(=O)O)N1.
What is the InChIKey of (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid?
The InChIKey is ICVFOLBNOUCHDU-ALKRTJFJSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)7-5-4-6(12-7)8(11)9(13)14/h6-8,12H,4-5,11H2,1-3H3,(H,13,14)/t6?,7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid?
(2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 153456103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).