(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid

C9H13NO2 — CID 100928166

IUPAC(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid
SMILESC=C1C(C[C@@H](N)C(=O)O)C12CC2
InChIInChI=1S/C9H13NO2/c1-5-6(9(5)2-3-9)4-7(10)8(11)12/h6-7H,1-4,10H2,(H,11,12)/t6?,7-/m1/s1
InChIKeyFYJWENMIVOPWCE-COBSHVIPSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds3

About (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid

(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid (PubChem CID 100928166) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid
PubChem CID100928166
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid
SMILESC=C1C(C[C@@H](N)C(=O)O)C12CC2
InChIInChI=1S/C9H13NO2/c1-5-6(9(5)2-3-9)4-7(10)8(11)12/h6-7H,1-4,10H2,(H,11,12)/t6?,7-/m1/s1
InChIKeyFYJWENMIVOPWCE-COBSHVIPSA-N
XLogP0.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856
(2R)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
CID 131034115
2-amino-3-cyclopropylpropanoic acid
CID 519178
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10330059
(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid
CID 100928165
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-3-(aziridin-2-yl)propanoic acid
CID 76553046
2-amino-3-(5-methyl-2-oxocyclohexyl)propanoic acid
CID 123873971
(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10998047
(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid
CID 102103507
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid (CID 100928166) is (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid is C=C1C(C[C@@H](N)C(=O)O)C12CC2.
What is the InChIKey of (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid?
The InChIKey is FYJWENMIVOPWCE-COBSHVIPSA-N. The full InChI is InChI=1S/C9H13NO2/c1-5-6(9(5)2-3-9)4-7(10)8(11)12/h6-7H,1-4,10H2,(H,11,12)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid?
(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid has a molecular weight of 167.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid is sourced from PubChem (CID 100928166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).