(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid

C12H21NO2 — CID 124853781

IUPAC(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H]([C@H](N)C(=O)O)C2
InChIInChI=1S/C12H21NO2/c1-11(2)7-4-5-12(11,3)8(6-7)9(13)10(14)15/h7-9H,4-6,13H2,1-3H3,(H,14,15)/t7-,8+,9-,12-/m0/s1
InChIKeyWALVRSLOXOEXQZ-NHRVJRKFSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds2

About (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid

(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid (PubChem CID 124853781) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
PubChem CID124853781
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H]([C@H](N)C(=O)O)C2
InChIInChI=1S/C12H21NO2/c1-11(2)7-4-5-12(11,3)8(6-7)9(13)10(14)15/h7-9H,4-6,13H2,1-3H3,(H,14,15)/t7-,8+,9-,12-/m0/s1
InChIKeyWALVRSLOXOEXQZ-NHRVJRKFSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid (CID 124853781) is (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid is CC1(C)[C@H]2CC[C@@]1(C)[C@@H]([C@H](N)C(=O)O)C2.
What is the InChIKey of (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid?
The InChIKey is WALVRSLOXOEXQZ-NHRVJRKFSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2)7-4-5-12(11,3)8(6-7)9(13)10(14)15/h7-9H,4-6,13H2,1-3H3,(H,14,15)/t7-,8+,9-,12-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid?
(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid has a molecular weight of 211.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid is sourced from PubChem (CID 124853781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).