(2S)-3-acetamido-2-methylazetidine-1-carboxylic acid

C7H12N2O3 — CID 175481977

IUPAC(2S)-3-acetamido-2-methylazetidine-1-carboxylic acid
SMILESCC(=O)NC1CN(C(=O)O)[C@H]1C
InChIInChI=1S/C7H12N2O3/c1-4-6(8-5(2)10)3-9(4)7(11)12/h4,6H,3H2,1-2H3,(H,8,10)(H,11,12)/t4-,6?/m0/s1
InChIKeyLAIIYUBNKHPWQN-VKZKZBKNSA-N
MW172.18 g/mol
LogP-0.13
Rot. Bonds1

About (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid

(2S)-3-acetamido-2-methylazetidine-1-carboxylic acid (PubChem CID 175481977) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-acetamido-2-methylazetidine-1-carboxylic acid
PubChem CID175481977
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2S)-3-acetamido-2-methylazetidine-1-carboxylic acid
SMILESCC(=O)NC1CN(C(=O)O)[C@H]1C
InChIInChI=1S/C7H12N2O3/c1-4-6(8-5(2)10)3-9(4)7(11)12/h4,6H,3H2,1-2H3,(H,8,10)(H,11,12)/t4-,6?/m0/s1
InChIKeyLAIIYUBNKHPWQN-VKZKZBKNSA-N
XLogP-0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid?
The IUPAC name of (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid (CID 175481977) is (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid.
What is the SMILES notation for (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid?
The canonical SMILES for (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid is CC(=O)NC1CN(C(=O)O)[C@H]1C.
What is the InChIKey of (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid?
The InChIKey is LAIIYUBNKHPWQN-VKZKZBKNSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4-6(8-5(2)10)3-9(4)7(11)12/h4,6H,3H2,1-2H3,(H,8,10)(H,11,12)/t4-,6?/m0/s1.
What are the key properties of (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid?
(2S)-3-acetamido-2-methylazetidine-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-acetamido-2-methylazetidine-1-carboxylic acid is sourced from PubChem (CID 175481977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).